N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide

C13H27NO3S — CID 54998654

IUPACN-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-3-12(4-2)14(10-11-15)18(16,17)13-8-6-5-7-9-13/h12-13,15H,3-11H2,1-2H3
InChIKeyAWNSUHJSQHNIAI-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.13
Rot. Bonds7

About N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide

N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide (PubChem CID 54998654) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide
PubChem CID54998654
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-3-12(4-2)14(10-11-15)18(16,17)13-8-6-5-7-9-13/h12-13,15H,3-11H2,1-2H3
InChIKeyAWNSUHJSQHNIAI-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
CID 164635570
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 83059408
N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 83059564
N-cyclohexyl-3-fluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 112406515
N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 39242554
N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 20721837
N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide
CID 43574626
Propane-1-sulfonic acid cyclopropyl-(2-hydroxy-ethyl)-amide
CID 43577530
N-(1,4-dihydroxybutan-2-yl)-N-methylcyclohexanesulfonamide
CID 89985561
N-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]propane-2-sulfonamide
CID 169666639
N-[(2R)-1-hydroxybutan-2-yl]-N-methylpropane-2-sulfonamide
CID 169667101
3-[2-Hydroxyethyl(dimethyl)azaniumyl]butane-1-sulfonate
CID 171083606

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide (CID 54998654) is N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide is CCC(CC)N(CCO)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide?
The InChIKey is AWNSUHJSQHNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-3-12(4-2)14(10-11-15)18(16,17)13-8-6-5-7-9-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide?
N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide is sourced from PubChem (CID 54998654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).