4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide

C15H27N3O2S — CID 107159243

IUPAC4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CC(N)CNc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-11(2)9-13(16)10-17-14-5-7-15(8-6-14)21(19,20)18-12(3)4/h5-8,11-13,17-18H,9-10,16H2,1-4H3
InChIKeyCRKGOHJODDMNKI-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.16
Rot. Bonds8

About 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide

4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 107159243) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID107159243
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CC(N)CNc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-11(2)9-13(16)10-17-14-5-7-15(8-6-14)21(19,20)18-12(3)4/h5-8,11-13,17-18H,9-10,16H2,1-4H3
InChIKeyCRKGOHJODDMNKI-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-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide
CID 115644267
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 83962963

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide (CID 107159243) is 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)CC(N)CNc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CRKGOHJODDMNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)9-13(16)10-17-14-5-7-15(8-6-14)21(19,20)18-12(3)4/h5-8,11-13,17-18H,9-10,16H2,1-4H3.
What are the key properties of 4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide?
4-[(2-amino-4-methylpentyl)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-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 107159243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).