N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide

C9H15NO4S2 — CID 22765157

IUPACN-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide
SMILESC=CS(=O)CCNC(=O)CCS(=O)(=O)C=C
InChIInChI=1S/C9H15NO4S2/c1-3-15(12)7-6-10-9(11)5-8-16(13,14)4-2/h3-4H,1-2,5-8H2,(H,10,11)
InChIKeyCDMSCFMEESJTCS-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.06
Rot. Bonds8

About N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide

N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide (PubChem CID 22765157) has the molecular formula C9H15NO4S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide
PubChem CID22765157
Molecular FormulaC9H15NO4S2
Molecular Weight265.36 g/mol
Exact Mass265.04
IUPAC NameN-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide
SMILESC=CS(=O)CCNC(=O)CCS(=O)(=O)C=C
InChIInChI=1S/C9H15NO4S2/c1-3-15(12)7-6-10-9(11)5-8-16(13,14)4-2/h3-4H,1-2,5-8H2,(H,10,11)
InChIKeyCDMSCFMEESJTCS-UHFFFAOYSA-N
XLogP-0.06
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide?
The IUPAC name of N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide (CID 22765157) is N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide.
What is the SMILES notation for N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide?
The canonical SMILES for N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide is C=CS(=O)CCNC(=O)CCS(=O)(=O)C=C.
What is the InChIKey of N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide?
The InChIKey is CDMSCFMEESJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S2/c1-3-15(12)7-6-10-9(11)5-8-16(13,14)4-2/h3-4H,1-2,5-8H2,(H,10,11).
What are the key properties of N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide?
N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide has a molecular weight of 265.36 g/mol, XLogP of -0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylsulfinylethyl)-3-ethenylsulfonylpropanamide is sourced from PubChem (CID 22765157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).