1-(thian-4-yl)azetidin-3-amine

C8H16N2S — CID 65244723

IUPAC1-(thian-4-yl)azetidin-3-amine
SMILESNC1CN(C2CCSCC2)C1
InChIInChI=1S/C8H16N2S/c9-7-5-10(6-7)8-1-3-11-4-2-8/h7-8H,1-6,9H2
InChIKeyJSYITALHOTVBGJ-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.52
Rot. Bonds1

About 1-(thian-4-yl)azetidin-3-amine

1-(thian-4-yl)azetidin-3-amine (PubChem CID 65244723) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(thian-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(thian-4-yl)azetidin-3-amine
PubChem CID65244723
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-(thian-4-yl)azetidin-3-amine
SMILESNC1CN(C2CCSCC2)C1
InChIInChI=1S/C8H16N2S/c9-7-5-10(6-7)8-1-3-11-4-2-8/h7-8H,1-6,9H2
InChIKeyJSYITALHOTVBGJ-UHFFFAOYSA-N
XLogP0.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(thian-4-yl)azetidin-3-amine 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)azetidin-3-amine?
The IUPAC name of 1-(thian-4-yl)azetidin-3-amine (CID 65244723) is 1-(thian-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(thian-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(thian-4-yl)azetidin-3-amine is NC1CN(C2CCSCC2)C1.
What is the InChIKey of 1-(thian-4-yl)azetidin-3-amine?
The InChIKey is JSYITALHOTVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c9-7-5-10(6-7)8-1-3-11-4-2-8/h7-8H,1-6,9H2.
What are the key properties of 1-(thian-4-yl)azetidin-3-amine?
1-(thian-4-yl)azetidin-3-amine has a molecular weight of 172.30 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)azetidin-3-amine is sourced from PubChem (CID 65244723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).