3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide

C15H26N2O2S — CID 61429113

IUPAC3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)CCC(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-5-15(16)13-7-6-8-14(11-13)20(18,19)17(4)10-9-12(2)3/h6-8,11-12,15H,5,9-10,16H2,1-4H3
InChIKeyCJCYQBSZBFYHKQ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.76
Rot. Bonds7

About 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide

3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61429113) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61429113
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)CCC(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-5-15(16)13-7-6-8-14(11-13)20(18,19)17(4)10-9-12(2)3/h6-8,11-12,15H,5,9-10,16H2,1-4H3
InChIKeyCJCYQBSZBFYHKQ-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide 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

3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986124
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428330
3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81057059
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739201
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61429113) is 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)N(C)CCC(C)C)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is CJCYQBSZBFYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-15(16)13-7-6-8-14(11-13)20(18,19)17(4)10-9-12(2)3/h6-8,11-12,15H,5,9-10,16H2,1-4H3.
What are the key properties of 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61429113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).