N-(3,4-dimethylcyclohexyl)ethanesulfonamide

C10H21NO2S — CID 64748802

IUPACN-(3,4-dimethylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C10H21NO2S/c1-4-14(12,13)11-10-6-5-8(2)9(3)7-10/h8-11H,4-7H2,1-3H3
InChIKeyWLFNUBAAPBPGEV-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.75
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)ethanesulfonamide

N-(3,4-dimethylcyclohexyl)ethanesulfonamide (PubChem CID 64748802) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)ethanesulfonamide
PubChem CID64748802
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3,4-dimethylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C10H21NO2S/c1-4-14(12,13)11-10-6-5-8(2)9(3)7-10/h8-11H,4-7H2,1-3H3
InChIKeyWLFNUBAAPBPGEV-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 107652071
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
CID 64749002
N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 64743714
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 106067378
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403
N-(3-aminocyclobutyl)ethanesulfonamide
CID 43597857
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
CID 79552187
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)ethanesulfonamide (CID 64748802) is N-(3,4-dimethylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)ethanesulfonamide is CCS(=O)(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
The InChIKey is WLFNUBAAPBPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-14(12,13)11-10-6-5-8(2)9(3)7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
N-(3,4-dimethylcyclohexyl)ethanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 64748802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).