1-(thian-4-yl)azetidine

C8H15NS — CID 130679949

IUPAC1-(thian-4-yl)azetidine
SMILESC1CN(C2CCSCC2)C1
InChIInChI=1S/C8H15NS/c1-4-9(5-1)8-2-6-10-7-3-8/h8H,1-7H2
InChIKeyIHCGSVONJUFBKN-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.59
Rot. Bonds1

About 1-(thian-4-yl)azetidine

1-(thian-4-yl)azetidine (PubChem CID 130679949) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(thian-4-yl)azetidine.

Molecular Properties

Compound Name1-(thian-4-yl)azetidine
PubChem CID130679949
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(thian-4-yl)azetidine
SMILESC1CN(C2CCSCC2)C1
InChIInChI=1S/C8H15NS/c1-4-9(5-1)8-2-6-10-7-3-8/h8H,1-7H2
InChIKeyIHCGSVONJUFBKN-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(thian-4-yl)azetidine 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 1-(thian-4-yl)azetidine?
The IUPAC name of 1-(thian-4-yl)azetidine (CID 130679949) is 1-(thian-4-yl)azetidine.
What is the SMILES notation for 1-(thian-4-yl)azetidine?
The canonical SMILES for 1-(thian-4-yl)azetidine is C1CN(C2CCSCC2)C1.
What is the InChIKey of 1-(thian-4-yl)azetidine?
The InChIKey is IHCGSVONJUFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-9(5-1)8-2-6-10-7-3-8/h8H,1-7H2.
What are the key properties of 1-(thian-4-yl)azetidine?
1-(thian-4-yl)azetidine has a molecular weight of 157.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)azetidine is sourced from PubChem (CID 130679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).