2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide

C12H18N2O2S — CID 104859283

IUPAC2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccccc2N)CCC1
InChIInChI=1S/C12H18N2O2S/c1-12(7-4-8-12)9-14-17(15,16)11-6-3-2-5-10(11)13/h2-3,5-6,14H,4,7-9,13H2,1H3
InChIKeyZAXKRSOLAYKSBN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide

2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 104859283) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
PubChem CID104859283
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccccc2N)CCC1
InChIInChI=1S/C12H18N2O2S/c1-12(7-4-8-12)9-14-17(15,16)11-6-3-2-5-10(11)13/h2-3,5-6,14H,4,7-9,13H2,1H3
InChIKeyZAXKRSOLAYKSBN-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(1-methylcyclobutyl)methyl]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

2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide (CID 104859283) is 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccccc2N)CCC1.
What is the InChIKey of 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is ZAXKRSOLAYKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(7-4-8-12)9-14-17(15,16)11-6-3-2-5-10(11)13/h2-3,5-6,14H,4,7-9,13H2,1H3.
What are the key properties of 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 104859283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).