4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide

C15H24N2O2S — CID 106919131

IUPAC4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCC2)ccc1CN
InChIInChI=1S/C15H24N2O2S/c1-12-9-15(8-7-14(12)10-16)20(18,19)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11,16H2,1H3
InChIKeyPOSRATRKWLXGOS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.31
Rot. Bonds5

About 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide (PubChem CID 106919131) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
PubChem CID106919131
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCC2)ccc1CN
InChIInChI=1S/C15H24N2O2S/c1-12-9-15(8-7-14(12)10-16)20(18,19)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11,16H2,1H3
InChIKeyPOSRATRKWLXGOS-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
4-(cyclohexylmethylsulfamoyl)-2-methylbenzenecarbothioamide
CID 106920025
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide (CID 106919131) is 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCCCC2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is POSRATRKWLXGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-9-15(8-7-14(12)10-16)20(18,19)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).