N-heptylmethanesulfonamide

C8H19NO2S — CID 4657022

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

About N-heptylmethanesulfonamide

N-heptylmethanesulfonamide (PubChem CID 4657022) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-heptylmethanesulfonamide.

Molecular Properties

Compound NameN-heptylmethanesulfonamide
PubChem CID4657022
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-heptylmethanesulfonamide
SMILESCCCCCCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h9H,3-8H2,1-2H3
InChIKeyCJVSMKINEHJIAX-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-heptylmethanesulfonamide?
The IUPAC name of N-heptylmethanesulfonamide (CID 4657022) is N-heptylmethanesulfonamide.
What is the SMILES notation for N-heptylmethanesulfonamide?
The canonical SMILES for N-heptylmethanesulfonamide is CCCCCCCNS(C)(=O)=O.
What is the InChIKey of N-heptylmethanesulfonamide?
The InChIKey is CJVSMKINEHJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h9H,3-8H2,1-2H3.
What are the key properties of N-heptylmethanesulfonamide?
N-heptylmethanesulfonamide 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-heptylmethanesulfonamide is sourced from PubChem (CID 4657022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).