1H-azepine;thiolane

C10H15NS — CID 157255772

IUPAC1H-azepine;thiolane
SMILESC1=CC=CNC=C1.C1CCSC1
InChIInChI=1S/C6H7N.C4H8S/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H;1-4H2
InChIKeyAWWJHJRKJYJJKJ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.69
Rot. Bonds

About 1H-azepine;thiolane

1H-azepine;thiolane (PubChem CID 157255772) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1H-azepine;thiolane.

Molecular Properties

Compound Name1H-azepine;thiolane
PubChem CID157255772
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1H-azepine;thiolane
SMILESC1=CC=CNC=C1.C1CCSC1
InChIInChI=1S/C6H7N.C4H8S/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H;1-4H2
InChIKeyAWWJHJRKJYJJKJ-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-azepine;thiolane 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 1H-azepine;thiolane?
The IUPAC name of 1H-azepine;thiolane (CID 157255772) is 1H-azepine;thiolane.
What is the SMILES notation for 1H-azepine;thiolane?
The canonical SMILES for 1H-azepine;thiolane is C1=CC=CNC=C1.C1CCSC1.
What is the InChIKey of 1H-azepine;thiolane?
The InChIKey is AWWJHJRKJYJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H8S/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H;1-4H2.
What are the key properties of 1H-azepine;thiolane?
1H-azepine;thiolane has a molecular weight of 181.30 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;thiolane is sourced from PubChem (CID 157255772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).