T54

(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide

Created:	2020-03-16
Last modified:	2020-03-25

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1 entries where T54 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	2
Bond Count	27
Aromatic Bond Count	5

2D diagram of T54

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Chemical Component Summary
Name	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{R})-2-thiophen-3-ylcyclopentane-1-carboxamide
Formula	C₁₀ H₁₃ N O S
Molecular Weight	195.281
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(csc1)C2C(C(N)=O)CCC2
SMILES	CACTVS	3.385	NC(=O)[CH]1CCC[CH]1c2cscc2
SMILES	OpenEye OEToolkits	2.0.7	c1cscc1C2CCCC2C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)[C@H]1CCC[C@H]1c2cscc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cscc1[C@@H]2CCC[C@@H]2C(=O)N
InChI	InChI	1.03	InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1
InChIKey	InChI	1.03	GQGCCJATUDDTKK-RKDXNWHRSA-N

Related Resource References

Resource Name	Reference
PubChem	145998217

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