4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine

C11H22N2S — CID 116680473

IUPAC4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(CCC2CNC2)CCS1
InChIInChI=1S/C11H22N2S/c1-11(2)9-13(5-6-14-11)4-3-10-7-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyMWFPEONQEFHMJY-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds3

About 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine

4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine (PubChem CID 116680473) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
PubChem CID116680473
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(CCC2CNC2)CCS1
InChIInChI=1S/C11H22N2S/c1-11(2)9-13(5-6-14-11)4-3-10-7-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyMWFPEONQEFHMJY-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine?
The IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine (CID 116680473) is 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine is CC1(C)CN(CCC2CNC2)CCS1.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine?
The InChIKey is MWFPEONQEFHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-11(2)9-13(5-6-14-11)4-3-10-7-12-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine?
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine is sourced from PubChem (CID 116680473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).