N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide

C13H27NO2S — CID 22772497

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C13H27NO2S/c1-5-13(3,4)11-7-9-12(10-8-11)14-17(15,16)6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyVBWLPDVWHGKMFG-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.92
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide (PubChem CID 22772497) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
PubChem CID22772497
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C13H27NO2S/c1-5-13(3,4)11-7-9-12(10-8-11)14-17(15,16)6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyVBWLPDVWHGKMFG-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
CID 43701247
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
N-(1,1-dioxothian-4-yl)ethanesulfonamide
CID 64586482
N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide
CID 165445594
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
[4-(ethylsulfonylamino)cyclohexyl] 2,2-dimethylbutanoate
CID 118346143
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide
CID 22772503
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide (CID 22772497) is N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide is CCC(C)(C)C1CCC(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
The InChIKey is VBWLPDVWHGKMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-13(3,4)11-7-9-12(10-8-11)14-17(15,16)6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 22772497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).