3-(2-propoxyethylsulfinylmethyl)azetidine

C9H19NO2S — CID 106460077

IUPAC3-(2-propoxyethylsulfinylmethyl)azetidine
SMILESCCCOCCS(=O)CC1CNC1
InChIInChI=1S/C9H19NO2S/c1-2-3-12-4-5-13(11)8-9-6-10-7-9/h9-10H,2-8H2,1H3
InChIKeyQOSFORVYBGRYRS-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.38
Rot. Bonds7

About 3-(2-propoxyethylsulfinylmethyl)azetidine

3-(2-propoxyethylsulfinylmethyl)azetidine (PubChem CID 106460077) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-(2-propoxyethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-propoxyethylsulfinylmethyl)azetidine
PubChem CID106460077
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-(2-propoxyethylsulfinylmethyl)azetidine
SMILESCCCOCCS(=O)CC1CNC1
InChIInChI=1S/C9H19NO2S/c1-2-3-12-4-5-13(11)8-9-6-10-7-9/h9-10H,2-8H2,1H3
InChIKeyQOSFORVYBGRYRS-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,2,2-Trifluoroethoxy)propylsulfonylmethyl]azetidine
CID 81196173
3-[2-(2,2,2-Trifluoroethoxy)ethylsulfinylmethyl]azetidine
CID 81196450
3-[2-(2,2,2-Trifluoroethoxy)ethylsulfonylmethyl]azetidine
CID 81196648
3-[3-(2,2,2-Trifluoroethoxy)propylsulfinylmethyl]azetidine
CID 81198059
[Azetidin-3-yl(propylsulfonyl)methyl] methanesulfonate
CID 87479293
2-(3-ethoxypropylsulfinyl)-N-methylethanamine
CID 126620188
2-methyl-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylsulfinyl]ethyl]propan-1-amine
CID 134579217
N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine
CID 134579860
2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine
CID 135173503
N-[2-(3-ethoxypropylsulfonyl)ethyl]-2-methylpropan-1-amine
CID 135173507
N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine
CID 146179339
N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine
CID 146183949

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(2-propoxyethylsulfinylmethyl)azetidine (CID 106460077) is 3-(2-propoxyethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(2-propoxyethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(2-propoxyethylsulfinylmethyl)azetidine is CCCOCCS(=O)CC1CNC1.
What is the InChIKey of 3-(2-propoxyethylsulfinylmethyl)azetidine?
The InChIKey is QOSFORVYBGRYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-12-4-5-13(11)8-9-6-10-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-propoxyethylsulfinylmethyl)azetidine?
3-(2-propoxyethylsulfinylmethyl)azetidine has a molecular weight of 205.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethylsulfinylmethyl)azetidine is sourced from PubChem (CID 106460077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).