2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide

C14H22N2O2S — CID 104859207

IUPAC2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2ccccc2N)C1
InChIInChI=1S/C14H22N2O2S/c1-11-5-4-6-12(9-11)10-16-19(17,18)14-8-3-2-7-13(14)15/h2-3,7-8,11-12,16H,4-6,9-10,15H2,1H3
InChIKeyJOTNJESSMMQHMW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.37
Rot. Bonds4

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

2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 104859207) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID104859207
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2ccccc2N)C1
InChIInChI=1S/C14H22N2O2S/c1-11-5-4-6-12(9-11)10-16-19(17,18)14-8-3-2-7-13(14)15/h2-3,7-8,11-12,16H,4-6,9-10,15H2,1H3
InChIKeyJOTNJESSMMQHMW-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.37
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

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 114130685
2-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411108
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
2-bromo-N-[(3-bromocyclohexyl)methyl]benzenesulfonamide
CID 114148306
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide (CID 104859207) is 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCCC(CNS(=O)(=O)c2ccccc2N)C1.
What is the InChIKey of 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is JOTNJESSMMQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-4-6-12(9-11)10-16-19(17,18)14-8-3-2-7-13(14)15/h2-3,7-8,11-12,16H,4-6,9-10,15H2,1H3.
What are the key properties of 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide?
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 104859207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).