6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide

C11H11NOS2 — CID 39892802

IUPAC6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide
SMILESC=CCNC(=O)c1sc2ccsc2c1C
InChIInChI=1S/C11H11NOS2/c1-3-5-12-11(13)10-7(2)9-8(15-10)4-6-14-9/h3-4,6H,1,5H2,2H3,(H,12,13)
InChIKeyACBHHTSGZGELIX-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.19
Rot. Bonds3

About 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide

6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 39892802) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID39892802
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide
SMILESC=CCNC(=O)c1sc2ccsc2c1C
InChIInChI=1S/C11H11NOS2/c1-3-5-12-11(13)10-7(2)9-8(15-10)4-6-14-9/h3-4,6H,1,5H2,2H3,(H,12,13)
InChIKeyACBHHTSGZGELIX-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide (CID 39892802) is 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide is C=CCNC(=O)c1sc2ccsc2c1C.
What is the InChIKey of 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is ACBHHTSGZGELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-3-5-12-11(13)10-7(2)9-8(15-10)4-6-14-9/h3-4,6H,1,5H2,2H3,(H,12,13).
What are the key properties of 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide?
6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 39892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).