N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide

C16H22N2OS — CID 43426858

IUPACN-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)C1CCCN1
InChIInChI=1S/C16H22N2OS/c19-16(15-6-3-11-17-15)18-12-7-9-14(10-8-12)20-13-4-1-2-5-13/h7-10,13,15,17H,1-6,11H2,(H,18,19)
InChIKeyLRDURZJOPGHQQD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.41
Rot. Bonds4

About N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide

N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide (PubChem CID 43426858) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
PubChem CID43426858
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)C1CCCN1
InChIInChI=1S/C16H22N2OS/c19-16(15-6-3-11-17-15)18-12-7-9-14(10-8-12)20-13-4-1-2-5-13/h7-10,13,15,17H,1-6,11H2,(H,18,19)
InChIKeyLRDURZJOPGHQQD-UHFFFAOYSA-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

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093
N-[4-(trifluoromethylsulfanyl)phenyl]azepane-2-carboxamide
CID 64563218
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide (CID 43426858) is N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(SC2CCCC2)cc1)C1CCCN1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is LRDURZJOPGHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16(15-6-3-11-17-15)18-12-7-9-14(10-8-12)20-13-4-1-2-5-13/h7-10,13,15,17H,1-6,11H2,(H,18,19).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide?
N-(4-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 N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43426858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).