2-amino-3-(cyclopentylmethylamino)benzenesulfonamide

C12H19N3O2S — CID 112674678

IUPAC2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
SMILESNc1c(NCC2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O2S/c13-12-10(15-8-9-4-1-2-5-9)6-3-7-11(12)18(14,16)17/h3,6-7,9,15H,1-2,4-5,8,13H2,(H2,14,16,17)
InChIKeyVGELKMWNNXIZAO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide

2-amino-3-(cyclopentylmethylamino)benzenesulfonamide (PubChem CID 112674678) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
PubChem CID112674678
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
SMILESNc1c(NCC2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O2S/c13-12-10(15-8-9-4-1-2-5-9)6-3-7-11(12)18(14,16)17/h3,6-7,9,15H,1-2,4-5,8,13H2,(H2,14,16,17)
InChIKeyVGELKMWNNXIZAO-UHFFFAOYSA-N
XLogP1.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.52
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-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 106022809
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341
2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
2-(thian-4-ylmethylamino)benzenesulfonamide
CID 113487772
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide (CID 112674678) is 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide is Nc1c(NCC2CCCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
The InChIKey is VGELKMWNNXIZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-12-10(15-8-9-4-1-2-5-9)6-3-7-11(12)18(14,16)17/h3,6-7,9,15H,1-2,4-5,8,13H2,(H2,14,16,17).
What are the key properties of 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopentylmethylamino)benzenesulfonamide is sourced from PubChem (CID 112674678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).