4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide

C15H27N3O2S — CID 63761398

IUPAC4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CC(CN)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-11(2)9-14(10-16)17-13-5-7-15(8-6-13)21(19,20)18-12(3)4/h5-8,11-12,14,17-18H,9-10,16H2,1-4H3
InChIKeyQWWDSTWYBUOJBS-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.16
Rot. Bonds8

About 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide

4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 63761398) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID63761398
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CC(CN)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-11(2)9-14(10-16)17-13-5-7-15(8-6-13)21(19,20)18-12(3)4/h5-8,11-12,14,17-18H,9-10,16H2,1-4H3
InChIKeyQWWDSTWYBUOJBS-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 107159243
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide (CID 63761398) is 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)CC(CN)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QWWDSTWYBUOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)9-14(10-16)17-13-5-7-15(8-6-13)21(19,20)18-12(3)4/h5-8,11-12,14,17-18H,9-10,16H2,1-4H3.
What are the key properties of 4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.16, 8 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-2-yl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63761398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).