1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine

C14H22N2O2S — CID 54932454

IUPAC1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
SMILESCS(=O)(=O)c1ccc(NCCC2CCCC2)c(N)c1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)12-6-7-14(13(15)10-12)16-9-8-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9,15H2,1H3
InChIKeyPOWMGHDPRVAUNW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.66
Rot. Bonds5

About 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine

1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine (PubChem CID 54932454) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
PubChem CID54932454
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
SMILESCS(=O)(=O)c1ccc(NCCC2CCCC2)c(N)c1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)12-6-7-14(13(15)10-12)16-9-8-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9,15H2,1H3
InChIKeyPOWMGHDPRVAUNW-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
1-N-(2-cyclopropylpropan-2-yl)-4-methylsulfonylbenzene-1,2-diamine
CID 114110446
1-N-[(4-methylcyclohexyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63243524
4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106120085
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
1-N-(4-methylsulfanylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 113487228
1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63821107
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine (CID 54932454) is 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine is CS(=O)(=O)c1ccc(NCCC2CCCC2)c(N)c1.
What is the InChIKey of 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine?
The InChIKey is POWMGHDPRVAUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)12-6-7-14(13(15)10-12)16-9-8-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9,15H2,1H3.
What are the key properties of 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine?
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine has a molecular weight of 282.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine is sourced from PubChem (CID 54932454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).