N-hexylmethanesulfonamide

C7H17NO2S — CID 572524

IUPACN-hexylmethanesulfonamide
SMILESCCCCCCNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-3-4-5-6-7-8-11(2,9)10/h8H,3-7H2,1-2H3
InChIKeyZOALXEWJBXQMSQ-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.12
Rot. Bonds6

About N-hexylmethanesulfonamide

N-hexylmethanesulfonamide (PubChem CID 572524) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-hexylmethanesulfonamide.

Molecular Properties

Compound NameN-hexylmethanesulfonamide
PubChem CID572524
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-hexylmethanesulfonamide
SMILESCCCCCCNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-3-4-5-6-7-8-11(2,9)10/h8H,3-7H2,1-2H3
InChIKeyZOALXEWJBXQMSQ-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.12
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-hexylmethanesulfonamide?
The IUPAC name of N-hexylmethanesulfonamide (CID 572524) is N-hexylmethanesulfonamide.
What is the SMILES notation for N-hexylmethanesulfonamide?
The canonical SMILES for N-hexylmethanesulfonamide is CCCCCCNS(C)(=O)=O.
What is the InChIKey of N-hexylmethanesulfonamide?
The InChIKey is ZOALXEWJBXQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-3-4-5-6-7-8-11(2,9)10/h8H,3-7H2,1-2H3.
What are the key properties of N-hexylmethanesulfonamide?
N-hexylmethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylmethanesulfonamide is sourced from PubChem (CID 572524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).