2-methylsulfonyl-N-prop-2-enylacetamide

C6H11NO3S — CID 60768425

IUPAC2-methylsulfonyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H11NO3S/c1-3-4-7-6(8)5-11(2,9)10/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyFDYORFBODXKEOJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.67
Rot. Bonds4

About 2-methylsulfonyl-N-prop-2-enylacetamide

2-methylsulfonyl-N-prop-2-enylacetamide (PubChem CID 60768425) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-methylsulfonyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-prop-2-enylacetamide
PubChem CID60768425
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name2-methylsulfonyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H11NO3S/c1-3-4-7-6(8)5-11(2,9)10/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyFDYORFBODXKEOJ-UHFFFAOYSA-N
XLogP-0.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-prop-2-enylacetamide?
The IUPAC name of 2-methylsulfonyl-N-prop-2-enylacetamide (CID 60768425) is 2-methylsulfonyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-methylsulfonyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-methylsulfonyl-N-prop-2-enylacetamide is C=CCNC(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-prop-2-enylacetamide?
The InChIKey is FDYORFBODXKEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3-4-7-6(8)5-11(2,9)10/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of 2-methylsulfonyl-N-prop-2-enylacetamide?
2-methylsulfonyl-N-prop-2-enylacetamide has a molecular weight of 177.22 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-prop-2-enylacetamide is sourced from PubChem (CID 60768425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).