3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide

C12H18N2O2S — CID 79889241

IUPAC3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-8-6-11(13)9(2)12(7-8)17(15,16)14-10-4-3-5-10/h6-7,10,14H,3-5,13H2,1-2H3
InChIKeyIMUZSYUMSGQNLY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.72
Rot. Bonds3

About 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide

3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide (PubChem CID 79889241) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
PubChem CID79889241
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-8-6-11(13)9(2)12(7-8)17(15,16)14-10-4-3-5-10/h6-7,10,14H,3-5,13H2,1-2H3
InChIKeyIMUZSYUMSGQNLY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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

3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
3-amino-5-bromo-2-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 114379259
3-amino-5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 114379675
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide (CID 79889241) is 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC2CCC2)c1.
What is the InChIKey of 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is IMUZSYUMSGQNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-11(13)9(2)12(7-8)17(15,16)14-10-4-3-5-10/h6-7,10,14H,3-5,13H2,1-2H3.
What are the key properties of 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide?
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79889241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).