N-hexylethanesulfonamide

C8H19NO2S — CID 5147507

IUPACN-hexylethanesulfonamide
SMILESCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-3-5-6-7-8-9-12(10,11)4-2/h9H,3-8H2,1-2H3
InChIKeyJAWVFJQFVVEYPC-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.51
Rot. Bonds7

About N-hexylethanesulfonamide

N-hexylethanesulfonamide (PubChem CID 5147507) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-hexylethanesulfonamide.

Molecular Properties

Compound NameN-hexylethanesulfonamide
PubChem CID5147507
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-hexylethanesulfonamide
SMILESCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-3-5-6-7-8-9-12(10,11)4-2/h9H,3-8H2,1-2H3
InChIKeyJAWVFJQFVVEYPC-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.51
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-hexylethanesulfonamide?
The IUPAC name of N-hexylethanesulfonamide (CID 5147507) is N-hexylethanesulfonamide.
What is the SMILES notation for N-hexylethanesulfonamide?
The canonical SMILES for N-hexylethanesulfonamide is CCCCCCNS(=O)(=O)CC.
What is the InChIKey of N-hexylethanesulfonamide?
The InChIKey is JAWVFJQFVVEYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-5-6-7-8-9-12(10,11)4-2/h9H,3-8H2,1-2H3.
What are the key properties of N-hexylethanesulfonamide?
N-hexylethanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylethanesulfonamide is sourced from PubChem (CID 5147507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).