2-ethenylsulfonyl-N-methylacetamide

C5H9NO3S — CID 19377270

IUPAC2-ethenylsulfonyl-N-methylacetamide
SMILESC=CS(=O)(=O)CC(=O)NC
InChIInChI=1S/C5H9NO3S/c1-3-10(8,9)4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyNBFNDKJCYOQXDT-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.71
Rot. Bonds3

About 2-ethenylsulfonyl-N-methylacetamide

2-ethenylsulfonyl-N-methylacetamide (PubChem CID 19377270) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-methylacetamide
PubChem CID19377270
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name2-ethenylsulfonyl-N-methylacetamide
SMILESC=CS(=O)(=O)CC(=O)NC
InChIInChI=1S/C5H9NO3S/c1-3-10(8,9)4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyNBFNDKJCYOQXDT-UHFFFAOYSA-N
XLogP-0.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-N-methylacetamide?
The IUPAC name of 2-ethenylsulfonyl-N-methylacetamide (CID 19377270) is 2-ethenylsulfonyl-N-methylacetamide.
What is the SMILES notation for 2-ethenylsulfonyl-N-methylacetamide?
The canonical SMILES for 2-ethenylsulfonyl-N-methylacetamide is C=CS(=O)(=O)CC(=O)NC.
What is the InChIKey of 2-ethenylsulfonyl-N-methylacetamide?
The InChIKey is NBFNDKJCYOQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-3-10(8,9)4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7).
What are the key properties of 2-ethenylsulfonyl-N-methylacetamide?
2-ethenylsulfonyl-N-methylacetamide has a molecular weight of 163.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-methylacetamide is sourced from PubChem (CID 19377270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).