5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane

C8H14N2S — CID 130656026

IUPAC5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane
SMILESC1NCC1N1CC2CC1CS2
InChIInChI=1S/C8H14N2S/c1-6-5-11-8(1)4-10(6)7-2-9-3-7/h6-9H,1-5H2
InChIKeyUSCGKATYUZLBRS-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.15
Rot. Bonds1

About 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane

5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane (PubChem CID 130656026) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane
PubChem CID130656026
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane
SMILESC1NCC1N1CC2CC1CS2
InChIInChI=1S/C8H14N2S/c1-6-5-11-8(1)4-10(6)7-2-9-3-7/h6-9H,1-5H2
InChIKeyUSCGKATYUZLBRS-UHFFFAOYSA-N
XLogP0.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane 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 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane (CID 130656026) is 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane is C1NCC1N1CC2CC1CS2.
What is the InChIKey of 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane?
The InChIKey is USCGKATYUZLBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-5-11-8(1)4-10(6)7-2-9-3-7/h6-9H,1-5H2.
What are the key properties of 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane?
5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane has a molecular weight of 170.28 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2-thia-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130656026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).