3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine

C9H19NO2S — CID 79451243

IUPAC3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1(CCS(C)(=O)=O)CNC1
InChIInChI=1S/C9H19NO2S/c1-8(2)9(6-10-7-9)4-5-13(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyUOVHTXQJHLGSQC-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.67
Rot. Bonds4

About 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine

3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine (PubChem CID 79451243) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine
PubChem CID79451243
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1(CCS(C)(=O)=O)CNC1
InChIInChI=1S/C9H19NO2S/c1-8(2)9(6-10-7-9)4-5-13(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyUOVHTXQJHLGSQC-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
The IUPAC name of 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine (CID 79451243) is 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
The canonical SMILES for 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine is CC(C)C1(CCS(C)(=O)=O)CNC1.
What is the InChIKey of 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
The InChIKey is UOVHTXQJHLGSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)9(6-10-7-9)4-5-13(3,11)12/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)-3-propan-2-ylazetidine is sourced from PubChem (CID 79451243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).