4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide

C16H26N2O2S — CID 106919020

IUPAC4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-3-18(15-7-5-4-6-8-15)21(19,20)16-10-9-14(12-17)13(2)11-16/h9-11,15H,3-8,12,17H2,1-2H3
InChIKeyGMVLPEJHTLKLIB-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.80
Rot. Bonds5

About 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide

4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide (PubChem CID 106919020) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
PubChem CID106919020
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-3-18(15-7-5-4-6-8-15)21(19,20)16-10-9-14(12-17)13(2)11-16/h9-11,15H,3-8,12,17H2,1-2H3
InChIKeyGMVLPEJHTLKLIB-UHFFFAOYSA-N
XLogP2.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
CID 79114135
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide (CID 106919020) is 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide?
The InChIKey is GMVLPEJHTLKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-18(15-7-5-4-6-8-15)21(19,20)16-10-9-14(12-17)13(2)11-16/h9-11,15H,3-8,12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).