2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide

C14H23N3O2S — CID 80646367

IUPAC2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCC2CCCC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-16-20(18,19)14-7-6-12(10-13(14)15)17-9-8-11-4-2-3-5-11/h6-7,10-11,16-17H,2-5,8-9,15H2,1H3
InChIKeyBQOZADIZCQUFOY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds6

About 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide

2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide (PubChem CID 80646367) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
PubChem CID80646367
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCC2CCCC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-16-20(18,19)14-7-6-12(10-13(14)15)17-9-8-11-4-2-3-5-11/h6-7,10-11,16-17H,2-5,8-9,15H2,1H3
InChIKeyBQOZADIZCQUFOY-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
2-amino-N-methyl-4-[2-(oxolan-2-yl)ethylamino]benzenesulfonamide
CID 80646014
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-N-methyl-4-(3-propoxypropylamino)benzenesulfonamide
CID 82942729
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
1-N-(2-cyclopentylethyl)-4-nitrobenzene-1,3-diamine
CID 106749030
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide (CID 80646367) is 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCC2CCCC2)cc1N.
What is the InChIKey of 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
The InChIKey is BQOZADIZCQUFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-20(18,19)14-7-6-12(10-13(14)15)17-9-8-11-4-2-3-5-11/h6-7,10-11,16-17H,2-5,8-9,15H2,1H3.
What are the key properties of 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide?
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80646367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).