3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide

C9H15NO5S2 — CID 22765151

IUPAC3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide
SMILESC=CS(=O)(=O)CCC(=O)NC(C)S(=O)(=O)C=C
InChIInChI=1S/C9H15NO5S2/c1-4-16(12,13)7-6-9(11)10-8(3)17(14,15)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,10,11)
InChIKeyPVWJBQSURHCAFG-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.04
Rot. Bonds7

About 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide

3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide (PubChem CID 22765151) has the molecular formula C9H15NO5S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide
PubChem CID22765151
Molecular FormulaC9H15NO5S2
Molecular Weight281.36 g/mol
Exact Mass281.04
IUPAC Name3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide
SMILESC=CS(=O)(=O)CCC(=O)NC(C)S(=O)(=O)C=C
InChIInChI=1S/C9H15NO5S2/c1-4-16(12,13)7-6-9(11)10-8(3)17(14,15)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,10,11)
InChIKeyPVWJBQSURHCAFG-UHFFFAOYSA-N
XLogP-0.04
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide?
The IUPAC name of 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide (CID 22765151) is 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide.
What is the SMILES notation for 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide?
The canonical SMILES for 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide is C=CS(=O)(=O)CCC(=O)NC(C)S(=O)(=O)C=C.
What is the InChIKey of 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide?
The InChIKey is PVWJBQSURHCAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S2/c1-4-16(12,13)7-6-9(11)10-8(3)17(14,15)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,10,11).
What are the key properties of 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide?
3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide has a molecular weight of 281.36 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-N-(1-ethenylsulfonylethyl)propanamide is sourced from PubChem (CID 22765151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).