N-ethyl-2-hydroxy-N-pentylethanesulfonamide

C9H21NO3S — CID 88625959

IUPACN-ethyl-2-hydroxy-N-pentylethanesulfonamide
SMILESCCCCCN(CC)S(=O)(=O)CCO
InChIInChI=1S/C9H21NO3S/c1-3-5-6-7-10(4-2)14(12,13)9-8-11/h11H,3-9H2,1-2H3
InChIKeyZTQHIGUSZVKMIT-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.82
Rot. Bonds8

About N-ethyl-2-hydroxy-N-pentylethanesulfonamide

N-ethyl-2-hydroxy-N-pentylethanesulfonamide (PubChem CID 88625959) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-pentylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-pentylethanesulfonamide
PubChem CID88625959
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-2-hydroxy-N-pentylethanesulfonamide
SMILESCCCCCN(CC)S(=O)(=O)CCO
InChIInChI=1S/C9H21NO3S/c1-3-5-6-7-10(4-2)14(12,13)9-8-11/h11H,3-9H2,1-2H3
InChIKeyZTQHIGUSZVKMIT-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-N-pentylethanesulfonamide?
The IUPAC name of N-ethyl-2-hydroxy-N-pentylethanesulfonamide (CID 88625959) is N-ethyl-2-hydroxy-N-pentylethanesulfonamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-pentylethanesulfonamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-pentylethanesulfonamide is CCCCCN(CC)S(=O)(=O)CCO.
What is the InChIKey of N-ethyl-2-hydroxy-N-pentylethanesulfonamide?
The InChIKey is ZTQHIGUSZVKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-5-6-7-10(4-2)14(12,13)9-8-11/h11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-hydroxy-N-pentylethanesulfonamide?
N-ethyl-2-hydroxy-N-pentylethanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-pentylethanesulfonamide is sourced from PubChem (CID 88625959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).