N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide

C14H24N2O2S — CID 115317722

IUPACN-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)13(15)9-10-16(4)19(17,18)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10,15H2,1-4H3
InChIKeyNEIUOKMGJKYBMA-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.99
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide

N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 115317722) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
PubChem CID115317722
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)13(15)9-10-16(4)19(17,18)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10,15H2,1-4H3
InChIKeyNEIUOKMGJKYBMA-UHFFFAOYSA-N
XLogP1.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide 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

N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(3-amino-4-methylpentyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 119991911
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide
CID 119992175
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 119992074
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712336
N-(3-amino-4-methylpentyl)-N,2,3-trimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119992357

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide (CID 115317722) is N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is NEIUOKMGJKYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)13(15)9-10-16(4)19(17,18)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10,15H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide?
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 115317722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).