(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide

C12H22N2OS — CID 103797414

IUPAC(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCSC1CCCC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C12H22N2OS/c1-16-10-5-2-4-9(8-10)14-12(15)11-6-3-7-13-11/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyQNIQDIUSKNFZLS-ILDUYXDCSA-N
MW242.39 g/mol
LogP1.53
Rot. Bonds3

About (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide

(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 103797414) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID103797414
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCSC1CCCC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C12H22N2OS/c1-16-10-5-2-4-9(8-10)14-12(15)11-6-3-7-13-11/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyQNIQDIUSKNFZLS-ILDUYXDCSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 119889097
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094
N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119319042
N-(3-methylsulfanylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119329950
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide
CID 103797263
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide
CID 97251565

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide (CID 103797414) is (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide is CSC1CCCC(NC(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is QNIQDIUSKNFZLS-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-16-10-5-2-4-9(8-10)14-12(15)11-6-3-7-13-11/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103797414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).