3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide

C8H9NOS — CID 66702112

IUPAC3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide
SMILESNC(=O)C1CC2C=CC=C2S1
InChIInChI=1S/C8H9NOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h1-3,5,7H,4H2,(H2,9,10)
InChIKeyYVUUJSUIIHKICY-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.05
Rot. Bonds1

About 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide

3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 66702112) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound Name3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID66702112
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide
SMILESNC(=O)C1CC2C=CC=C2S1
InChIInChI=1S/C8H9NOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h1-3,5,7H,4H2,(H2,9,10)
InChIKeyYVUUJSUIIHKICY-UHFFFAOYSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide (CID 66702112) is 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide is NC(=O)C1CC2C=CC=C2S1.
What is the InChIKey of 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is YVUUJSUIIHKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h1-3,5,7H,4H2,(H2,9,10).
What are the key properties of 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide?
3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 167.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 66702112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).