3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide

C10H13NOS — CID 90736298

IUPAC3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide
SMILESNC(=O)C1CC2CC=CC=CC2S1
InChIInChI=1S/C10H13NOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h1-3,5,7-9H,4,6H2,(H2,11,12)
InChIKeyZELDUEOHIQOCAV-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.48
Rot. Bonds1

About 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide

3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 90736298) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound Name3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID90736298
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide
SMILESNC(=O)C1CC2CC=CC=CC2S1
InChIInChI=1S/C10H13NOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h1-3,5,7-9H,4,6H2,(H2,11,12)
InChIKeyZELDUEOHIQOCAV-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide (CID 90736298) is 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide is NC(=O)C1CC2CC=CC=CC2S1.
What is the InChIKey of 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is ZELDUEOHIQOCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h1-3,5,7-9H,4,6H2,(H2,11,12).
What are the key properties of 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide?
3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 195.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,8a-tetrahydro-2H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 90736298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).