3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

C15H24N2O2S — CID 61446778

IUPAC3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2O2S/c1-12-5-3-7-14(9-12)17(2)20(18,19)15-8-4-6-13(10-15)11-16/h4,6,8,10,12,14H,3,5,7,9,11,16H2,1-2H3
InChIKeyQVNMCRHSUPRUSH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 61446778) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID61446778
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2O2S/c1-12-5-3-7-14(9-12)17(2)20(18,19)15-8-4-6-13(10-15)11-16/h4,6,8,10,12,14H,3,5,7,9,11,16H2,1-2H3
InChIKeyQVNMCRHSUPRUSH-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 63289031
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421962
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325
2-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594093
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61446796
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 61446778) is 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(N(C)S(=O)(=O)c2cccc(CN)c2)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is QVNMCRHSUPRUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-5-3-7-14(9-12)17(2)20(18,19)15-8-4-6-13(10-15)11-16/h4,6,8,10,12,14H,3,5,7,9,11,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61446778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).