N-decylsulfonylacetamide

C12H25NO3S — CID 6482235

IUPACN-decylsulfonylacetamide
SMILESCCCCCCCCCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C12H25NO3S/c1-3-4-5-6-7-8-9-10-11-17(15,16)13-12(2)14/h3-11H2,1-2H3,(H,13,14)
InChIKeyNXFTWUNZUSCGKR-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.59
Rot. Bonds10

About N-decylsulfonylacetamide

N-decylsulfonylacetamide (PubChem CID 6482235) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-decylsulfonylacetamide.

Molecular Properties

Compound NameN-decylsulfonylacetamide
PubChem CID6482235
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-decylsulfonylacetamide
SMILESCCCCCCCCCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C12H25NO3S/c1-3-4-5-6-7-8-9-10-11-17(15,16)13-12(2)14/h3-11H2,1-2H3,(H,13,14)
InChIKeyNXFTWUNZUSCGKR-UHFFFAOYSA-N
XLogP2.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.59
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-decylsulfonylacetamide?
The IUPAC name of N-decylsulfonylacetamide (CID 6482235) is N-decylsulfonylacetamide.
What is the SMILES notation for N-decylsulfonylacetamide?
The canonical SMILES for N-decylsulfonylacetamide is CCCCCCCCCCS(=O)(=O)NC(C)=O.
What is the InChIKey of N-decylsulfonylacetamide?
The InChIKey is NXFTWUNZUSCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-4-5-6-7-8-9-10-11-17(15,16)13-12(2)14/h3-11H2,1-2H3,(H,13,14).
What are the key properties of N-decylsulfonylacetamide?
N-decylsulfonylacetamide has a molecular weight of 263.40 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylsulfonylacetamide is sourced from PubChem (CID 6482235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).