3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide

C12H18N2O2S — CID 113467078

IUPAC3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(7-8)14-17(15,16)12-5-3-4-11(13)9(12)2/h3-5,8,10,14H,6-7,13H2,1-2H3
InChIKeyUFLGJAAOKDELFB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.65
Rot. Bonds3

About 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide

3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 113467078) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID113467078
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(7-8)14-17(15,16)12-5-3-4-11(13)9(12)2/h3-5,8,10,14H,6-7,13H2,1-2H3
InChIKeyUFLGJAAOKDELFB-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-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

3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
CID 103561715
N-(3-aminocyclobutyl)-2-methyl-3-nitrobenzenesulfonamide
CID 43597771
sodium 3-amino-2-methylbenzenesulfonate
CID 101303613
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide (CID 113467078) is 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)NC1CC(C)C1.
What is the InChIKey of 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is UFLGJAAOKDELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-10(7-8)14-17(15,16)12-5-3-4-11(13)9(12)2/h3-5,8,10,14H,6-7,13H2,1-2H3.
What are the key properties of 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide?
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113467078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).