N-(2-cyclohexylethyl)hexane-1-sulfonamide

C14H29NO2S — CID 67178326

IUPACN-(2-cyclohexylethyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-2-3-4-8-13-18(16,17)15-12-11-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3
InChIKeySAOYGTKNFKNDEY-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.46
Rot. Bonds9

About N-(2-cyclohexylethyl)hexane-1-sulfonamide

N-(2-cyclohexylethyl)hexane-1-sulfonamide (PubChem CID 67178326) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)hexane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)hexane-1-sulfonamide
PubChem CID67178326
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-(2-cyclohexylethyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-2-3-4-8-13-18(16,17)15-12-11-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3
InChIKeySAOYGTKNFKNDEY-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-methylmethanesulfonamide
CID 19877943
(4-Methanesulfonylcyclohexyl)methanamine hydrochloride
CID 132327778
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-Cyclo-hexyl-amino-1-propanesulphonic acid
CID 15788243
3-(3-Aminocyclohexyl)propane-1-sulfonic acid
CID 20365848
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
Cyclohexyl-3-amino-1-propanesulfonic acid
CID 54166191
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(cyclohexylmethyl)-2-methoxyethanesulfonamide
CID 72148758

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)hexane-1-sulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)hexane-1-sulfonamide (CID 67178326) is N-(2-cyclohexylethyl)hexane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)hexane-1-sulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)hexane-1-sulfonamide is CCCCCCS(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)hexane-1-sulfonamide?
The InChIKey is SAOYGTKNFKNDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-2-3-4-8-13-18(16,17)15-12-11-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)hexane-1-sulfonamide?
N-(2-cyclohexylethyl)hexane-1-sulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)hexane-1-sulfonamide is sourced from PubChem (CID 67178326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).