3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H24N2O2S — CID 79536883

IUPAC3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCS(=O)(=O)c1cccc(NC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)13-6-2-5-12(11-13)18-16-8-3-7-14(16)15-9-4-10-17-15/h2,5-6,11,14-18H,3-4,7-10H2,1H3
InChIKeyZKGBONOLNHDRNK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.42
Rot. Bonds4

About 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79536883) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79536883
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCS(=O)(=O)c1cccc(NC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)13-6-2-5-12(11-13)18-16-8-3-7-14(16)15-9-4-10-17-15/h2,5-6,11,14-18H,3-4,7-10H2,1H3
InChIKeyZKGBONOLNHDRNK-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
CID 115376568
N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 60923902
3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79545201
3-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64759899
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79536883) is 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is CS(=O)(=O)c1cccc(NC2CCCC2C2CCCN2)c1.
What is the InChIKey of 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is ZKGBONOLNHDRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21(19,20)13-6-2-5-12(11-13)18-16-8-3-7-14(16)15-9-4-10-17-15/h2,5-6,11,14-18H,3-4,7-10H2,1H3.
What are the key properties of 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 308.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79536883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).