(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide

C16H22N2OS — CID 103795387

IUPAC(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)[C@H]1CCCN1
InChIInChI=1S/C16H22N2OS/c19-16(14-9-5-11-17-14)18-13-8-3-4-10-15(13)20-12-6-1-2-7-12/h3-4,8,10,12,14,17H,1-2,5-7,9,11H2,(H,18,19)/t14-/m1/s1
InChIKeyUYDYFESXFZBYFC-CQSZACIVSA-N
MW290.43 g/mol
LogP3.41
Rot. Bonds4

About (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide (PubChem CID 103795387) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
PubChem CID103795387
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)[C@H]1CCCN1
InChIInChI=1S/C16H22N2OS/c19-16(14-9-5-11-17-14)18-13-8-3-4-10-15(13)20-12-6-1-2-7-12/h3-4,8,10,12,14,17H,1-2,5-7,9,11H2,(H,18,19)/t14-/m1/s1
InChIKeyUYDYFESXFZBYFC-CQSZACIVSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 43704741
(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120622975
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide (CID 103795387) is (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1SC1CCCC1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is UYDYFESXFZBYFC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16(14-9-5-11-17-14)18-13-8-3-4-10-15(13)20-12-6-1-2-7-12/h3-4,8,10,12,14,17H,1-2,5-7,9,11H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).