N-ethyl-N-hexyl-2-hydroxyethanesulfonamide

C10H23NO3S — CID 88625854

IUPACN-ethyl-N-hexyl-2-hydroxyethanesulfonamide
SMILESCCCCCCN(CC)S(=O)(=O)CCO
InChIInChI=1S/C10H23NO3S/c1-3-5-6-7-8-11(4-2)15(13,14)10-9-12/h12H,3-10H2,1-2H3
InChIKeyWTXAUYFHSNVTDV-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.21
Rot. Bonds9

About N-ethyl-N-hexyl-2-hydroxyethanesulfonamide

N-ethyl-N-hexyl-2-hydroxyethanesulfonamide (PubChem CID 88625854) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-N-hexyl-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-hexyl-2-hydroxyethanesulfonamide
PubChem CID88625854
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-N-hexyl-2-hydroxyethanesulfonamide
SMILESCCCCCCN(CC)S(=O)(=O)CCO
InChIInChI=1S/C10H23NO3S/c1-3-5-6-7-8-11(4-2)15(13,14)10-9-12/h12H,3-10H2,1-2H3
InChIKeyWTXAUYFHSNVTDV-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Piperidinylsulfonyl)propan-2-ol
CID 119056772
1-(1-Piperidinylsulfonyl)butan-2-ol
CID 129875292
N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide
CID 178081917
Sulfohexyl diethanolamine
CID 129712269
Hexyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 18689241
Didodecyl-bis(1-hydroxyethyl)azanium;1-hydroxyethanesulfonate
CID 20060846
N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 20721837
3-(Piperidin-1-ylsulfonyl)propan-1-ol
CID 28344976
N-(1-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 54009329
N-ethyl-2-hydroxy-N-propylethanesulfonamide
CID 65731599
2-Piperidin-1-ylsulfonylethanol
CID 65750650
N-butyl-N-ethyl-2-hydroxyethanesulfonamide
CID 65750800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexyl-2-hydroxyethanesulfonamide?
The IUPAC name of N-ethyl-N-hexyl-2-hydroxyethanesulfonamide (CID 88625854) is N-ethyl-N-hexyl-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-ethyl-N-hexyl-2-hydroxyethanesulfonamide?
The canonical SMILES for N-ethyl-N-hexyl-2-hydroxyethanesulfonamide is CCCCCCN(CC)S(=O)(=O)CCO.
What is the InChIKey of N-ethyl-N-hexyl-2-hydroxyethanesulfonamide?
The InChIKey is WTXAUYFHSNVTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-5-6-7-8-11(4-2)15(13,14)10-9-12/h12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-hexyl-2-hydroxyethanesulfonamide?
N-ethyl-N-hexyl-2-hydroxyethanesulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexyl-2-hydroxyethanesulfonamide is sourced from PubChem (CID 88625854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).