5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide

C13H20N2O2S — CID 113467168

IUPAC5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C13H20N2O2S/c1-9-5-12(6-9)15-18(16,17)13-7-11(8-14)4-3-10(13)2/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyBKYPMMLIKINNMH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.53
Rot. Bonds4

About 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide

5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 113467168) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID113467168
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C13H20N2O2S/c1-9-5-12(6-9)15-18(16,17)13-7-11(8-14)4-3-10(13)2/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyBKYPMMLIKINNMH-UHFFFAOYSA-N
XLogP1.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)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

5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
CID 64921745
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467078
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide (CID 113467168) is 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)NC1CC(C)C1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is BKYPMMLIKINNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-5-12(6-9)15-18(16,17)13-7-11(8-14)4-3-10(13)2/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113467168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).