thiepan-4-one

C6H10OS — CID 15698157

IUPACthiepan-4-one
SMILESO=C1CCCSCC1
InChIInChI=1S/C6H10OS/c7-6-2-1-4-8-5-3-6/h1-5H2
InChIKeyFQCDOWQBRJYXCP-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.47
Rot. Bonds

About thiepan-4-one

thiepan-4-one (PubChem CID 15698157) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is thiepan-4-one.

Molecular Properties

Compound Namethiepan-4-one
PubChem CID15698157
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Namethiepan-4-one
SMILESO=C1CCCSCC1
InChIInChI=1S/C6H10OS/c7-6-2-1-4-8-5-3-6/h1-5H2
InChIKeyFQCDOWQBRJYXCP-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze thiepan-4-one 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 thiepan-4-one?
The IUPAC name of thiepan-4-one (CID 15698157) is thiepan-4-one.
What is the SMILES notation for thiepan-4-one?
The canonical SMILES for thiepan-4-one is O=C1CCCSCC1.
What is the InChIKey of thiepan-4-one?
The InChIKey is FQCDOWQBRJYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c7-6-2-1-4-8-5-3-6/h1-5H2.
What are the key properties of thiepan-4-one?
thiepan-4-one has a molecular weight of 130.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiepan-4-one is sourced from PubChem (CID 15698157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).