2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide

C12H18N2O2S — CID 113485273

IUPAC2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C)CCC2)c(N)c1
InChIInChI=1S/C12H18N2O2S/c1-9-4-5-11(10(13)8-9)17(15,16)14-12(2)6-3-7-12/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyRGKLMIMUIUVJEY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide

2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113485273) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113485273
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C)CCC2)c(N)c1
InChIInChI=1S/C12H18N2O2S/c1-9-4-5-11(10(13)8-9)17(15,16)14-12(2)6-3-7-12/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyRGKLMIMUIUVJEY-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
CID 81466289
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485255
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843630

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113485273) is 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(C)CCC2)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is RGKLMIMUIUVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-4-5-11(10(13)8-9)17(15,16)14-12(2)6-3-7-12/h4-5,8,14H,3,6-7,13H2,1-2H3.
What are the key properties of 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide?
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113485273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).