3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C15H24N2O2S — CID 79357481

IUPAC3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1CN
InChIInChI=1S/C15H24N2O2S/c1-10-6-7-12(8-11(10)9-16)20(18,19)17-13-14(2,3)15(13,4)5/h6-8,13,17H,9,16H2,1-5H3
InChIKeySLYCVTYLXCZKAK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.17
Rot. Bonds4

About 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79357481) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79357481
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1CN
InChIInChI=1S/C15H24N2O2S/c1-10-6-7-12(8-11(10)9-16)20(18,19)17-13-14(2,3)15(13,4)5/h6-8,13,17H,9,16H2,1-5H3
InChIKeySLYCVTYLXCZKAK-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084469
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 79699038
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
3-(aminomethyl)-4-methyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 114141448
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351747
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79357481) is 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is SLYCVTYLXCZKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-6-7-12(8-11(10)9-16)20(18,19)17-13-14(2,3)15(13,4)5/h6-8,13,17H,9,16H2,1-5H3.
What are the key properties of 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79357481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).