N-octylsulfonylacetamide

C10H21NO3S — CID 22741475

IUPACN-octylsulfonylacetamide
SMILESCCCCCCCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C10H21NO3S/c1-3-4-5-6-7-8-9-15(13,14)11-10(2)12/h3-9H2,1-2H3,(H,11,12)
InChIKeyNMHMMWXLFBFPJM-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.81
Rot. Bonds8

About N-octylsulfonylacetamide

N-octylsulfonylacetamide (PubChem CID 22741475) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-octylsulfonylacetamide.

Molecular Properties

Compound NameN-octylsulfonylacetamide
PubChem CID22741475
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-octylsulfonylacetamide
SMILESCCCCCCCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C10H21NO3S/c1-3-4-5-6-7-8-9-15(13,14)11-10(2)12/h3-9H2,1-2H3,(H,11,12)
InChIKeyNMHMMWXLFBFPJM-UHFFFAOYSA-N
XLogP1.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-octylsulfonylacetamide?
The IUPAC name of N-octylsulfonylacetamide (CID 22741475) is N-octylsulfonylacetamide.
What is the SMILES notation for N-octylsulfonylacetamide?
The canonical SMILES for N-octylsulfonylacetamide is CCCCCCCCS(=O)(=O)NC(C)=O.
What is the InChIKey of N-octylsulfonylacetamide?
The InChIKey is NMHMMWXLFBFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-5-6-7-8-9-15(13,14)11-10(2)12/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-octylsulfonylacetamide?
N-octylsulfonylacetamide has a molecular weight of 235.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylsulfonylacetamide is sourced from PubChem (CID 22741475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).