N-octylethanesulfonamide

C10H23NO2S — CID 4277676

IUPACN-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-3-5-6-7-8-9-10-11-14(12,13)4-2/h11H,3-10H2,1-2H3
InChIKeyLSLSRBYBYXSVER-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.29
Rot. Bonds9

About N-octylethanesulfonamide

N-octylethanesulfonamide (PubChem CID 4277676) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-octylethanesulfonamide.

Molecular Properties

Compound NameN-octylethanesulfonamide
PubChem CID4277676
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-3-5-6-7-8-9-10-11-14(12,13)4-2/h11H,3-10H2,1-2H3
InChIKeyLSLSRBYBYXSVER-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of N-octylethanesulfonamide?
The IUPAC name of N-octylethanesulfonamide (CID 4277676) is N-octylethanesulfonamide.
What is the SMILES notation for N-octylethanesulfonamide?
The canonical SMILES for N-octylethanesulfonamide is CCCCCCCCNS(=O)(=O)CC.
What is the InChIKey of N-octylethanesulfonamide?
The InChIKey is LSLSRBYBYXSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-5-6-7-8-9-10-11-14(12,13)4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-octylethanesulfonamide?
N-octylethanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylethanesulfonamide is sourced from PubChem (CID 4277676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).