N-(1-hydroxyethyl)octane-1-sulfonamide

C10H23NO3S — CID 133188356

IUPACN-(1-hydroxyethyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)NC(C)O
InChIInChI=1S/C10H23NO3S/c1-3-4-5-6-7-8-9-15(13,14)11-10(2)12/h10-12H,3-9H2,1-2H3
InChIKeyBDNKPBVGUOYMAU-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.60
Rot. Bonds9

About N-(1-hydroxyethyl)octane-1-sulfonamide

N-(1-hydroxyethyl)octane-1-sulfonamide (PubChem CID 133188356) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(1-hydroxyethyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)octane-1-sulfonamide
PubChem CID133188356
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(1-hydroxyethyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)NC(C)O
InChIInChI=1S/C10H23NO3S/c1-3-4-5-6-7-8-9-15(13,14)11-10(2)12/h10-12H,3-9H2,1-2H3
InChIKeyBDNKPBVGUOYMAU-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)octane-1-sulfonamide?
The IUPAC name of N-(1-hydroxyethyl)octane-1-sulfonamide (CID 133188356) is N-(1-hydroxyethyl)octane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxyethyl)octane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxyethyl)octane-1-sulfonamide is CCCCCCCCS(=O)(=O)NC(C)O.
What is the InChIKey of N-(1-hydroxyethyl)octane-1-sulfonamide?
The InChIKey is BDNKPBVGUOYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-4-5-6-7-8-9-15(13,14)11-10(2)12/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(1-hydroxyethyl)octane-1-sulfonamide?
N-(1-hydroxyethyl)octane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)octane-1-sulfonamide is sourced from PubChem (CID 133188356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).