2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide

C16H26N2O2S — CID 106027406

IUPAC2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C16H26N2O2S/c1-3-17-12-14-8-4-5-10-16(14)21(19,20)18-15-9-6-7-13(2)11-15/h4-5,8,10,13,15,17-18H,3,6-7,9,11-12H2,1-2H3
InChIKeyCAMRGSGWBQNYRH-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.65
Rot. Bonds6

About 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide

2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 106027406) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID106027406
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C16H26N2O2S/c1-3-17-12-14-8-4-5-10-16(14)21(19,20)18-15-9-6-7-13(2)11-15/h4-5,8,10,13,15,17-18H,3,6-7,9,11-12H2,1-2H3
InChIKeyCAMRGSGWBQNYRH-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 114264300
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 43456995
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938
3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084483
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide (CID 106027406) is 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NC1CCCC(C)C1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is CAMRGSGWBQNYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-17-12-14-8-4-5-10-16(14)21(19,20)18-15-9-6-7-13(2)11-15/h4-5,8,10,13,15,17-18H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106027406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).