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

C8H15NO3S2 — CID 21344084

IUPAC3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide
SMILESC=CS(=O)(=O)CCC(=O)NCCSC
InChIInChI=1S/C8H15NO3S2/c1-3-14(11,12)7-4-8(10)9-5-6-13-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyNOUDXWNIGQDDDH-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.41
Rot. Bonds7

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

3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide (PubChem CID 21344084) has the molecular formula C8H15NO3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide
PubChem CID21344084
Molecular FormulaC8H15NO3S2
Molecular Weight237.35 g/mol
Exact Mass237.05
IUPAC Name3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide
SMILESC=CS(=O)(=O)CCC(=O)NCCSC
InChIInChI=1S/C8H15NO3S2/c1-3-14(11,12)7-4-8(10)9-5-6-13-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyNOUDXWNIGQDDDH-UHFFFAOYSA-N
XLogP0.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide (CID 21344084) is 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide is C=CS(=O)(=O)CCC(=O)NCCSC.
What is the InChIKey of 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is NOUDXWNIGQDDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S2/c1-3-14(11,12)7-4-8(10)9-5-6-13-2/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide?
3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 237.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 21344084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).