8H-cyclohepta[b]thiophene-2-carboxamide

C10H9NOS — CID 66941054

IUPAC8H-cyclohepta[b]thiophene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)CC=CC=C2
InChIInChI=1S/C10H9NOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h1-4,6H,5H2,(H2,11,12)
InChIKeyAAPBGMOKIJYMQB-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.97
Rot. Bonds1

About 8H-cyclohepta[b]thiophene-2-carboxamide

8H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 66941054) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 8H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound Name8H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID66941054
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name8H-cyclohepta[b]thiophene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)CC=CC=C2
InChIInChI=1S/C10H9NOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h1-4,6H,5H2,(H2,11,12)
InChIKeyAAPBGMOKIJYMQB-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8H-cyclohepta[b]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of 8H-cyclohepta[b]thiophene-2-carboxamide (CID 66941054) is 8H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for 8H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for 8H-cyclohepta[b]thiophene-2-carboxamide is NC(=O)c1cc2c(s1)CC=CC=C2.
What is the InChIKey of 8H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is AAPBGMOKIJYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h1-4,6H,5H2,(H2,11,12).
What are the key properties of 8H-cyclohepta[b]thiophene-2-carboxamide?
8H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 191.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 66941054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).