1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine

C16H24N2O2S — CID 71871132

IUPAC1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)c1ccccc1NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)16-9-5-4-8-15(16)17-13-10-11-18(12-13)14-6-2-3-7-14/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3
InChIKeyVZCHLUGDUOLIRE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine

1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine (PubChem CID 71871132) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
PubChem CID71871132
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)c1ccccc1NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)16-9-5-4-8-15(16)17-13-10-11-18(12-13)14-6-2-3-7-14/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3
InChIKeyVZCHLUGDUOLIRE-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine
CID 133322605
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111918842
N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
CID 43724620
N-(2-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981813
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]guanidine;hydroiodide
CID 111918790
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
CID 61465017
1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 47982910
N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
CID 3576043
2-methylsulfonyl-N-(3-phenylcyclobutyl)aniline
CID 43724687
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
CID 106258032
2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
CID 141356617

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine (CID 71871132) is 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine is CS(=O)(=O)c1ccccc1NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine?
The InChIKey is VZCHLUGDUOLIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21(19,20)16-9-5-4-8-15(16)17-13-10-11-18(12-13)14-6-2-3-7-14/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine?
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine has a molecular weight of 308.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 71871132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).