2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide

C14H24N4O2S — CID 115992729

IUPAC2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
SMILESCN(CCNc1cccc(S(N)(=O)=O)c1N)C1CCCC1
InChIInChI=1S/C14H24N4O2S/c1-18(11-5-2-3-6-11)10-9-17-12-7-4-8-13(14(12)15)21(16,19)20/h4,7-8,11,17H,2-3,5-6,9-10,15H2,1H3,(H2,16,19,20)
InChIKeyRGKBLPMWODBMCT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.20
Rot. Bonds6

About 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide

2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide (PubChem CID 115992729) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
PubChem CID115992729
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
SMILESCN(CCNc1cccc(S(N)(=O)=O)c1N)C1CCCC1
InChIInChI=1S/C14H24N4O2S/c1-18(11-5-2-3-6-11)10-9-17-12-7-4-8-13(14(12)15)21(16,19)20/h4,7-8,11,17H,2-3,5-6,9-10,15H2,1H3,(H2,16,19,20)
InChIKeyRGKBLPMWODBMCT-UHFFFAOYSA-N
XLogP1.20
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide (CID 115992729) is 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide is CN(CCNc1cccc(S(N)(=O)=O)c1N)C1CCCC1.
What is the InChIKey of 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide?
The InChIKey is RGKBLPMWODBMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-18(11-5-2-3-6-11)10-9-17-12-7-4-8-13(14(12)15)21(16,19)20/h4,7-8,11,17H,2-3,5-6,9-10,15H2,1H3,(H2,16,19,20).
What are the key properties of 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide?
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide is sourced from PubChem (CID 115992729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).