3-[2-(azetidin-1-yl)ethyl]thian-3-amine

C10H20N2S — CID 84733796

IUPAC3-[2-(azetidin-1-yl)ethyl]thian-3-amine
SMILESNC1(CCN2CCC2)CCCSC1
InChIInChI=1S/C10H20N2S/c11-10(3-1-8-13-9-10)4-7-12-5-2-6-12/h1-9,11H2
InChIKeyWBZZKYGGLZBOFJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]thian-3-amine

3-[2-(azetidin-1-yl)ethyl]thian-3-amine (PubChem CID 84733796) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]thian-3-amine
PubChem CID84733796
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-[2-(azetidin-1-yl)ethyl]thian-3-amine
SMILESNC1(CCN2CCC2)CCCSC1
InChIInChI=1S/C10H20N2S/c11-10(3-1-8-13-9-10)4-7-12-5-2-6-12/h1-9,11H2
InChIKeyWBZZKYGGLZBOFJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Thia-1-azaspiro[3.5]nonane
CID 65804667
1-(2-Thiomorpholin-4-ylethyl)cyclobutan-1-amine
CID 79842941
1-[2-(3-Methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine
CID 79843613
1-[2-(2,6-Dimethylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine
CID 79843853
2-(2-Methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine
CID 82397395
(2-Methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine
CID 82405622
4-(Azetidin-1-ylmethyl)thian-4-amine
CID 84732813
3-(Azetidin-1-ylmethyl)thian-3-amine
CID 84732814
3-[2-(Azetidin-1-yl)ethyl]thiolan-3-amine
CID 84732816
4-[2-(Dimethylamino)ethyl]thian-4-amine
CID 84732903
3-[2-(Dimethylamino)ethyl]thian-3-amine
CID 84732904
4-[2-(Azetidin-1-yl)ethyl]thian-4-amine
CID 84733794

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thian-3-amine?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thian-3-amine (CID 84733796) is 3-[2-(azetidin-1-yl)ethyl]thian-3-amine.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]thian-3-amine?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]thian-3-amine is NC1(CCN2CCC2)CCCSC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]thian-3-amine?
The InChIKey is WBZZKYGGLZBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-10(3-1-8-13-9-10)4-7-12-5-2-6-12/h1-9,11H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]thian-3-amine?
3-[2-(azetidin-1-yl)ethyl]thian-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]thian-3-amine is sourced from PubChem (CID 84733796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).