4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide

C9H11NOS2 — CID 2820209

IUPAC4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
SMILESC=Cc1c(SC)sc(C(N)=O)c1C
InChIInChI=1S/C9H11NOS2/c1-4-6-5(2)7(8(10)11)13-9(6)12-3/h4H,1H2,2-3H3,(H2,10,11)
InChIKeyFISQNCJLYPPANK-UHFFFAOYSA-N
MW213.33 g/mol
LogP2.52
Rot. Bonds3

About 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide

4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide (PubChem CID 2820209) has the molecular formula C9H11NOS2 and a molecular weight of 213.33 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
PubChem CID2820209
Molecular FormulaC9H11NOS2
Molecular Weight213.33 g/mol
Exact Mass213.03
IUPAC Name4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
SMILESC=Cc1c(SC)sc(C(N)=O)c1C
InChIInChI=1S/C9H11NOS2/c1-4-6-5(2)7(8(10)11)13-9(6)12-3/h4H,1H2,2-3H3,(H2,10,11)
InChIKeyFISQNCJLYPPANK-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide (CID 2820209) is 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide is C=Cc1c(SC)sc(C(N)=O)c1C.
What is the InChIKey of 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
The InChIKey is FISQNCJLYPPANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS2/c1-4-6-5(2)7(8(10)11)13-9(6)12-3/h4H,1H2,2-3H3,(H2,10,11).
What are the key properties of 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide has a molecular weight of 213.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 2820209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).