1-deuterio-3-(ethylsulfinylmethyl)azetidine

C6H13NOS — CID 175869122

IUPAC1-deuterio-3-(ethylsulfinylmethyl)azetidine
SMILES[2H]N1CC(CS(=O)CC)C1
InChIInChI=1S/C6H13NOS/c1-2-9(8)5-6-3-7-4-6/h6-7H,2-5H2,1H3/i/hD
InChIKeyGZPDRIYOGCEBSN-DYCDLGHISA-N
MW148.25 g/mol
LogP-0.03
Rot. Bonds3

About 1-deuterio-3-(ethylsulfinylmethyl)azetidine

1-deuterio-3-(ethylsulfinylmethyl)azetidine (PubChem CID 175869122) has the molecular formula C6H13NOS and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-deuterio-3-(ethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name1-deuterio-3-(ethylsulfinylmethyl)azetidine
PubChem CID175869122
Molecular FormulaC6H13NOS
Molecular Weight148.25 g/mol
Exact Mass148.08
IUPAC Name1-deuterio-3-(ethylsulfinylmethyl)azetidine
SMILES[2H]N1CC(CS(=O)CC)C1
InChIInChI=1S/C6H13NOS/c1-2-9(8)5-6-3-7-4-6/h6-7H,2-5H2,1H3/i/hD
InChIKeyGZPDRIYOGCEBSN-DYCDLGHISA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3-(ethylsulfinylmethyl)azetidine?
The IUPAC name of 1-deuterio-3-(ethylsulfinylmethyl)azetidine (CID 175869122) is 1-deuterio-3-(ethylsulfinylmethyl)azetidine.
What is the SMILES notation for 1-deuterio-3-(ethylsulfinylmethyl)azetidine?
The canonical SMILES for 1-deuterio-3-(ethylsulfinylmethyl)azetidine is [2H]N1CC(CS(=O)CC)C1.
What is the InChIKey of 1-deuterio-3-(ethylsulfinylmethyl)azetidine?
The InChIKey is GZPDRIYOGCEBSN-DYCDLGHISA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-9(8)5-6-3-7-4-6/h6-7H,2-5H2,1H3/i/hD.
What are the key properties of 1-deuterio-3-(ethylsulfinylmethyl)azetidine?
1-deuterio-3-(ethylsulfinylmethyl)azetidine has a molecular weight of 148.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3-(ethylsulfinylmethyl)azetidine is sourced from PubChem (CID 175869122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).