N-(1-cyclopentylethyl)-2-methylsulfonylaniline

C14H21NO2S — CID 62631561

IUPACN-(1-cyclopentylethyl)-2-methylsulfonylaniline
SMILESCC(Nc1ccccc1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C14H21NO2S/c1-11(12-7-3-4-8-12)15-13-9-5-6-10-14(13)18(2,16)17/h5-6,9-12,15H,3-4,7-8H2,1-2H3
InChIKeyPALNCPJFULPLTH-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds4

About N-(1-cyclopentylethyl)-2-methylsulfonylaniline

N-(1-cyclopentylethyl)-2-methylsulfonylaniline (PubChem CID 62631561) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-methylsulfonylaniline
PubChem CID62631561
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(1-cyclopentylethyl)-2-methylsulfonylaniline
SMILESCC(Nc1ccccc1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C14H21NO2S/c1-11(12-7-3-4-8-12)15-13-9-5-6-10-14(13)18(2,16)17/h5-6,9-12,15H,3-4,7-8H2,1-2H3
InChIKeyPALNCPJFULPLTH-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
2-(2-methylsulfonylanilino)propanamide
CID 43402598
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
CID 71871132

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-methylsulfonylaniline?
The IUPAC name of N-(1-cyclopentylethyl)-2-methylsulfonylaniline (CID 62631561) is N-(1-cyclopentylethyl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-methylsulfonylaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2-methylsulfonylaniline is CC(Nc1ccccc1S(C)(=O)=O)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-methylsulfonylaniline?
The InChIKey is PALNCPJFULPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(12-7-3-4-8-12)15-13-9-5-6-10-14(13)18(2,16)17/h5-6,9-12,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-2-methylsulfonylaniline?
N-(1-cyclopentylethyl)-2-methylsulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-methylsulfonylaniline is sourced from PubChem (CID 62631561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).