2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine

C10H21NO2S — CID 71861019

IUPAC2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine
SMILESCC1(C)CN(CCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2)8-11(10(9,3)4)6-7-14(5,12)13/h6-8H2,1-5H3
InChIKeyYNYVNVHNQANTES-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds3

About 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine

2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine (PubChem CID 71861019) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine
PubChem CID71861019
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine
SMILESCC1(C)CN(CCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2)8-11(10(9,3)4)6-7-14(5,12)13/h6-8H2,1-5H3
InChIKeyYNYVNVHNQANTES-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine?
The IUPAC name of 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine (CID 71861019) is 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine?
The canonical SMILES for 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine is CC1(C)CN(CCS(C)(=O)=O)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine?
The InChIKey is YNYVNVHNQANTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)8-11(10(9,3)4)6-7-14(5,12)13/h6-8H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine?
2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-(2-methylsulfonylethyl)azetidine is sourced from PubChem (CID 71861019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).