4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide

C15H25N3O2S — CID 106357515

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
SMILESCC(C)C(CCN)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-11(2)15(9-10-16)17-12-5-7-14(8-6-12)21(19,20)18-13-3-4-13/h5-8,11,13,15,17-18H,3-4,9-10,16H2,1-2H3
InChIKeyRWAIWXPMKJTZFE-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.91
Rot. Bonds8

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

4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide (PubChem CID 106357515) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
PubChem CID106357515
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
SMILESCC(C)C(CCN)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-11(2)15(9-10-16)17-12-5-7-14(8-6-12)21(19,20)18-13-3-4-13/h5-8,11,13,15,17-18H,3-4,9-10,16H2,1-2H3
InChIKeyRWAIWXPMKJTZFE-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.91
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-amino-4-methylpentan-3-yl)amino]benzenesulfonamide
CID 106357642
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
1-N-(3-aminopropyl)-4-N-cyclopropylbenzene-1,4-disulfonamide
CID 119962220
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide (CID 106357515) is 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide is CC(C)C(CCN)Nc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide?
The InChIKey is RWAIWXPMKJTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)15(9-10-16)17-12-5-7-14(8-6-12)21(19,20)18-13-3-4-13/h5-8,11,13,15,17-18H,3-4,9-10,16H2,1-2H3.
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide?
4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.91, 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-3-yl)amino]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 106357515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).