(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H24N2O2S — CID 92954382

IUPAC(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-12-6-2-3-7-13(12)18-16(20)14-8-4-10-19(14)17(21)15-9-5-11-22-15/h5,9,11-14H,2-4,6-8,10H2,1H3,(H,18,20)/t12-,13-,14+/m1/s1
InChIKeyCLWNWRDFRIWILD-MCIONIFRSA-N
MW320.46 g/mol
LogP3.05
Rot. Bonds3

About (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 92954382) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID92954382
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-12-6-2-3-7-13(12)18-16(20)14-8-4-10-19(14)17(21)15-9-5-11-22-15/h5,9,11-14H,2-4,6-8,10H2,1H3,(H,18,20)/t12-,13-,14+/m1/s1
InChIKeyCLWNWRDFRIWILD-MCIONIFRSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843061
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47910031
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18163760

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 92954382) is (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CLWNWRDFRIWILD-MCIONIFRSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12-6-2-3-7-13(12)18-16(20)14-8-4-10-19(14)17(21)15-9-5-11-22-15/h5,9,11-14H,2-4,6-8,10H2,1H3,(H,18,20)/t12-,13-,14+/m1/s1.
What are the key properties of (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92954382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).