3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine

C9H17NO2S — CID 106931552

IUPAC3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine
SMILESO=S(COCC1CC1)CC1CNC1
InChIInChI=1S/C9H17NO2S/c11-13(6-9-3-10-4-9)7-12-5-8-1-2-8/h8-10H,1-7H2
InChIKeyWYDYFMSMGUFPDZ-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.34
Rot. Bonds6

About 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine

3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine (PubChem CID 106931552) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine
PubChem CID106931552
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine
SMILESO=S(COCC1CC1)CC1CNC1
InChIInChI=1S/C9H17NO2S/c11-13(6-9-3-10-4-9)7-12-5-8-1-2-8/h8-10H,1-7H2
InChIKeyWYDYFMSMGUFPDZ-UHFFFAOYSA-N
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
3-(2-propoxyethylsulfinylmethyl)azetidine
CID 106460077
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
CID 113451582
1-(azetidin-3-ylmethylsulfinyl)-4,4-dimethylpentan-3-one
CID 118332981
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
sodium 2-(cyclopropylmethoxy)ethanesulfinate
CID 165455321
3-(cyclopropylmethyl)azetidine
CID 62314893
5-(azetidin-3-ylmethylsulfinylmethyl)-2-methoxybenzonitrile
CID 81196115

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine (CID 106931552) is 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine is O=S(COCC1CC1)CC1CNC1.
What is the InChIKey of 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine?
The InChIKey is WYDYFMSMGUFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(6-9-3-10-4-9)7-12-5-8-1-2-8/h8-10H,1-7H2.
What are the key properties of 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine?
3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine has a molecular weight of 203.31 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethylsulfinylmethyl)azetidine is sourced from PubChem (CID 106931552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).