3-ethenylsulfonylbutanamide

C6H11NO3S — CID 4136678

IUPAC3-ethenylsulfonylbutanamide
SMILESC=CS(=O)(=O)C(C)CC(N)=O
InChIInChI=1S/C6H11NO3S/c1-3-11(9,10)5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyJJGPNYADUZHHCU-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.19
Rot. Bonds4

About 3-ethenylsulfonylbutanamide

3-ethenylsulfonylbutanamide (PubChem CID 4136678) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-ethenylsulfonylbutanamide.

Molecular Properties

Compound Name3-ethenylsulfonylbutanamide
PubChem CID4136678
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name3-ethenylsulfonylbutanamide
SMILESC=CS(=O)(=O)C(C)CC(N)=O
InChIInChI=1S/C6H11NO3S/c1-3-11(9,10)5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyJJGPNYADUZHHCU-UHFFFAOYSA-N
XLogP-0.19
TPSA77.23 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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonylbutanamide?
The IUPAC name of 3-ethenylsulfonylbutanamide (CID 4136678) is 3-ethenylsulfonylbutanamide.
What is the SMILES notation for 3-ethenylsulfonylbutanamide?
The canonical SMILES for 3-ethenylsulfonylbutanamide is C=CS(=O)(=O)C(C)CC(N)=O.
What is the InChIKey of 3-ethenylsulfonylbutanamide?
The InChIKey is JJGPNYADUZHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3-11(9,10)5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H2,7,8).
What are the key properties of 3-ethenylsulfonylbutanamide?
3-ethenylsulfonylbutanamide has a molecular weight of 177.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonylbutanamide is sourced from PubChem (CID 4136678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).