4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide

C12H21N3O2S — CID 63732783

IUPAC4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(C)CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15-18(16,17)12-6-4-11(5-7-12)14-10(3)8-13/h4-7,9-10,14-15H,8,13H2,1-3H3
InChIKeyKUDOXYBAXHNJPQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.13
Rot. Bonds6

About 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide

4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 63732783) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID63732783
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(C)CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15-18(16,17)12-6-4-11(5-7-12)14-10(3)8-13/h4-7,9-10,14-15H,8,13H2,1-3H3
InChIKeyKUDOXYBAXHNJPQ-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 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 ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
CID 103388606
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-(hex-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 106231738
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide (CID 63732783) is 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NC(C)CN)cc1.
What is the InChIKey of 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KUDOXYBAXHNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)15-18(16,17)12-6-4-11(5-7-12)14-10(3)8-13/h4-7,9-10,14-15H,8,13H2,1-3H3.
What are the key properties of 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide?
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).