4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide

C12H21N3O2S — CID 106357642

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide
SMILESCC(C)C(CCN)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H21N3O2S/c1-9(2)12(7-8-13)15-10-3-5-11(6-4-10)18(14,16)17/h3-6,9,12,15H,7-8,13H2,1-2H3,(H2,14,16,17)
InChIKeyBSPYCFLLKDRDRW-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.12
Rot. Bonds6

About 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide

4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide (PubChem CID 106357642) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide
PubChem CID106357642
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide
SMILESCC(C)C(CCN)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H21N3O2S/c1-9(2)12(7-8-13)15-10-3-5-11(6-4-10)18(14,16)17/h3-6,9,12,15H,7-8,13H2,1-2H3,(H2,14,16,17)
InChIKeyBSPYCFLLKDRDRW-UHFFFAOYSA-N
XLogP1.12
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-N-(4-methylsulfonylphenyl)pentane-1,3-diamine
CID 114178237
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61480429
4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
CID 106357515
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
CID 106357386
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
3-methyl-2-[4-(trifluoromethylsulfonyl)anilino]butan-1-ol
CID 79247376
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide (CID 106357642) is 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide is CC(C)C(CCN)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide?
The InChIKey is BSPYCFLLKDRDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)12(7-8-13)15-10-3-5-11(6-4-10)18(14,16)17/h3-6,9,12,15H,7-8,13H2,1-2H3,(H2,14,16,17).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide?
4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106357642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).