4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol

C9H13NOS — CID 21322970

IUPAC4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol
SMILESNC1CCCC(O)c2sccc21
InChIInChI=1S/C9H13NOS/c10-7-2-1-3-8(11)9-6(7)4-5-12-9/h4-5,7-8,11H,1-3,10H2
InChIKeyPZFXIXAWXDAVGG-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.97
Rot. Bonds

About 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol

4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol (PubChem CID 21322970) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol.

Molecular Properties

Compound Name4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol
PubChem CID21322970
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol
SMILESNC1CCCC(O)c2sccc21
InChIInChI=1S/C9H13NOS/c10-7-2-1-3-8(11)9-6(7)4-5-12-9/h4-5,7-8,11H,1-3,10H2
InChIKeyPZFXIXAWXDAVGG-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol 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 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
The IUPAC name of 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol (CID 21322970) is 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol.
What is the SMILES notation for 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
The canonical SMILES for 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol is NC1CCCC(O)c2sccc21.
What is the InChIKey of 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
The InChIKey is PZFXIXAWXDAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-7-2-1-3-8(11)9-6(7)4-5-12-9/h4-5,7-8,11H,1-3,10H2.
What are the key properties of 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol has a molecular weight of 183.28 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol is sourced from PubChem (CID 21322970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).