4-[2-(azetidin-1-yl)ethyl]thian-4-amine

C10H20N2S — CID 84733794

IUPAC4-[2-(azetidin-1-yl)ethyl]thian-4-amine
SMILESNC1(CCN2CCC2)CCSCC1
InChIInChI=1S/C10H20N2S/c11-10(3-8-13-9-4-10)2-7-12-5-1-6-12/h1-9,11H2
InChIKeyKSCDMPLJZLJMMO-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds3

About 4-[2-(azetidin-1-yl)ethyl]thian-4-amine

4-[2-(azetidin-1-yl)ethyl]thian-4-amine (PubChem CID 84733794) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-[2-(azetidin-1-yl)ethyl]thian-4-amine.

Molecular Properties

Compound Name4-[2-(azetidin-1-yl)ethyl]thian-4-amine
PubChem CID84733794
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name4-[2-(azetidin-1-yl)ethyl]thian-4-amine
SMILESNC1(CCN2CCC2)CCSCC1
InChIInChI=1S/C10H20N2S/c11-10(3-8-13-9-4-10)2-7-12-5-1-6-12/h1-9,11H2
InChIKeyKSCDMPLJZLJMMO-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

7-Thia-1-azaspiro[3.5]nonane
CID 83678916
4-(2-aminoethyl)-N,N-dimethyltetrahydro-2H-thiopyran-4-amine
CID 10845314
2-(4-Pyrrolidin-1-ylthian-4-yl)ethanamine
CID 131352232
Ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763444
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-1-yl)ethyl]thian-4-amine?
The IUPAC name of 4-[2-(azetidin-1-yl)ethyl]thian-4-amine (CID 84733794) is 4-[2-(azetidin-1-yl)ethyl]thian-4-amine.
What is the SMILES notation for 4-[2-(azetidin-1-yl)ethyl]thian-4-amine?
The canonical SMILES for 4-[2-(azetidin-1-yl)ethyl]thian-4-amine is NC1(CCN2CCC2)CCSCC1.
What is the InChIKey of 4-[2-(azetidin-1-yl)ethyl]thian-4-amine?
The InChIKey is KSCDMPLJZLJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-10(3-8-13-9-4-10)2-7-12-5-1-6-12/h1-9,11H2.
What are the key properties of 4-[2-(azetidin-1-yl)ethyl]thian-4-amine?
4-[2-(azetidin-1-yl)ethyl]thian-4-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 4-[2-(azetidin-1-yl)ethyl]thian-4-amine is sourced from PubChem (CID 84733794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).