1-methyl-3-(thian-4-yl)azetidin-3-ol

C9H17NOS — CID 83817741

IUPAC1-methyl-3-(thian-4-yl)azetidin-3-ol
SMILESCN1CC(O)(C2CCSCC2)C1
InChIInChI=1S/C9H17NOS/c1-10-6-9(11,7-10)8-2-4-12-5-3-8/h8,11H,2-7H2,1H3
InChIKeyQYQTZVRHZRQLBL-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.81
Rot. Bonds1

About 1-methyl-3-(thian-4-yl)azetidin-3-ol

1-methyl-3-(thian-4-yl)azetidin-3-ol (PubChem CID 83817741) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-methyl-3-(thian-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(thian-4-yl)azetidin-3-ol
PubChem CID83817741
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-methyl-3-(thian-4-yl)azetidin-3-ol
SMILESCN1CC(O)(C2CCSCC2)C1
InChIInChI=1S/C9H17NOS/c1-10-6-9(11,7-10)8-2-4-12-5-3-8/h8,11H,2-7H2,1H3
InChIKeyQYQTZVRHZRQLBL-UHFFFAOYSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(thian-4-yl)azetidin-3-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 1-methyl-3-(thian-4-yl)azetidin-3-ol?
The IUPAC name of 1-methyl-3-(thian-4-yl)azetidin-3-ol (CID 83817741) is 1-methyl-3-(thian-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-methyl-3-(thian-4-yl)azetidin-3-ol?
The canonical SMILES for 1-methyl-3-(thian-4-yl)azetidin-3-ol is CN1CC(O)(C2CCSCC2)C1.
What is the InChIKey of 1-methyl-3-(thian-4-yl)azetidin-3-ol?
The InChIKey is QYQTZVRHZRQLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-10-6-9(11,7-10)8-2-4-12-5-3-8/h8,11H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(thian-4-yl)azetidin-3-ol?
1-methyl-3-(thian-4-yl)azetidin-3-ol has a molecular weight of 187.31 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thian-4-yl)azetidin-3-ol is sourced from PubChem (CID 83817741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).