3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide

C9H15NO5S2 — CID 54164258

IUPAC3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide
SMILESC=CS(=O)(=O)CCNC(=O)CCS(=O)(=O)C=C
InChIInChI=1S/C9H15NO5S2/c1-3-16(12,13)7-5-9(11)10-6-8-17(14,15)4-2/h3-4H,1-2,5-8H2,(H,10,11)
InChIKeyOQNWQZNCPSNDKR-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.39
Rot. Bonds8

About 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide

3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide (PubChem CID 54164258) has the molecular formula C9H15NO5S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide
PubChem CID54164258
Molecular FormulaC9H15NO5S2
Molecular Weight281.36 g/mol
Exact Mass281.04
IUPAC Name3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide
SMILESC=CS(=O)(=O)CCNC(=O)CCS(=O)(=O)C=C
InChIInChI=1S/C9H15NO5S2/c1-3-16(12,13)7-5-9(11)10-6-8-17(14,15)4-2/h3-4H,1-2,5-8H2,(H,10,11)
InChIKeyOQNWQZNCPSNDKR-UHFFFAOYSA-N
XLogP-0.39
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide?
The IUPAC name of 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide (CID 54164258) is 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide.
What is the SMILES notation for 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide?
The canonical SMILES for 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide is C=CS(=O)(=O)CCNC(=O)CCS(=O)(=O)C=C.
What is the InChIKey of 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide?
The InChIKey is OQNWQZNCPSNDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S2/c1-3-16(12,13)7-5-9(11)10-6-8-17(14,15)4-2/h3-4H,1-2,5-8H2,(H,10,11).
What are the key properties of 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide?
3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide has a molecular weight of 281.36 g/mol, XLogP of -0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)propanamide is sourced from PubChem (CID 54164258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).