3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C12H18N2O2S — CID 113463608

IUPAC3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC2CC2C)c1
InChIInChI=1S/C12H18N2O2S/c1-8-3-11(13)6-12(4-8)17(15,16)14-7-10-5-9(10)2/h3-4,6,9-10,14H,5,7,13H2,1-2H3
InChIKeyWVIGNPHZTSICBZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 113463608) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID113463608
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC2CC2C)c1
InChIInChI=1S/C12H18N2O2S/c1-8-3-11(13)6-12(4-8)17(15,16)14-7-10-5-9(10)2/h3-4,6,9-10,14H,5,7,13H2,1-2H3
InChIKeyWVIGNPHZTSICBZ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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

4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116503
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
CID 43256183
3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
CID 65102883
3-amino-4-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 115421485

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 113463608) is 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC2CC2C)c1.
What is the InChIKey of 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is WVIGNPHZTSICBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-3-11(13)6-12(4-8)17(15,16)14-7-10-5-9(10)2/h3-4,6,9-10,14H,5,7,13H2,1-2H3.
What are the key properties of 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 113463608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).