3-cyclopentylsulfonyl-2-methylaniline

C12H17NO2S — CID 81190403

IUPAC3-cyclopentylsulfonyl-2-methylaniline
SMILESCc1c(N)cccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17NO2S/c1-9-11(13)7-4-8-12(9)16(14,15)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKeyUUGYYQOJMLDKBL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.29
Rot. Bonds2

About 3-cyclopentylsulfonyl-2-methylaniline

3-cyclopentylsulfonyl-2-methylaniline (PubChem CID 81190403) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-2-methylaniline.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-2-methylaniline
PubChem CID81190403
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-cyclopentylsulfonyl-2-methylaniline
SMILESCc1c(N)cccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17NO2S/c1-9-11(13)7-4-8-12(9)16(14,15)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKeyUUGYYQOJMLDKBL-UHFFFAOYSA-N
XLogP2.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptylsulfonyl-6-methylaniline
CID 82935936
2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfonyl)aniline
CID 81192550
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
2-methyl-3-(oxan-2-ylmethylsulfonyl)aniline
CID 81190309
sodium 3-amino-2-methylbenzenesulfonate
CID 101303613
4-cyclohexylsulfonyl-3-methylaniline
CID 81193220
4-(3-amino-2-methylphenyl)sulfonylpiperazine-1-sulfonamide
CID 61125660
2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108810
2-(oxan-4-ylsulfonyl)aniline
CID 63936905
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43096916
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
4-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-2-methylaniline?
The IUPAC name of 3-cyclopentylsulfonyl-2-methylaniline (CID 81190403) is 3-cyclopentylsulfonyl-2-methylaniline.
What is the SMILES notation for 3-cyclopentylsulfonyl-2-methylaniline?
The canonical SMILES for 3-cyclopentylsulfonyl-2-methylaniline is Cc1c(N)cccc1S(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-2-methylaniline?
The InChIKey is UUGYYQOJMLDKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-11(13)7-4-8-12(9)16(14,15)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,13H2,1H3.
What are the key properties of 3-cyclopentylsulfonyl-2-methylaniline?
3-cyclopentylsulfonyl-2-methylaniline has a molecular weight of 239.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-2-methylaniline is sourced from PubChem (CID 81190403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).