3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide

C13H20N2O2S — CID 114240440

IUPAC3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(C)C2)c(C)c1N
InChIInChI=1S/C13H20N2O2S/c1-8-6-11(7-8)15-18(16,17)12-5-4-9(2)13(14)10(12)3/h4-5,8,11,15H,6-7,14H2,1-3H3
InChIKeyXVDUVAVLLFMKEM-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide

3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 114240440) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID114240440
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(C)C2)c(C)c1N
InChIInChI=1S/C13H20N2O2S/c1-8-6-11(7-8)15-18(16,17)12-5-4-9(2)13(14)10(12)3/h4-5,8,11,15H,6-7,14H2,1-3H3
InChIKeyXVDUVAVLLFMKEM-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467078
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
N-(3,5-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 64724992
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide (CID 114240440) is 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(C)C2)c(C)c1N.
What is the InChIKey of 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is XVDUVAVLLFMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-6-11(7-8)15-18(16,17)12-5-4-9(2)13(14)10(12)3/h4-5,8,11,15H,6-7,14H2,1-3H3.
What are the key properties of 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide?
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 114240440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).