3-(2-propoxyethylsulfonylmethyl)azetidine

C9H19NO3S — CID 106460079

IUPAC3-(2-propoxyethylsulfonylmethyl)azetidine
SMILESCCCOCCS(=O)(=O)CC1CNC1
InChIInChI=1S/C9H19NO3S/c1-2-3-13-4-5-14(11,12)8-9-6-10-7-9/h9-10H,2-8H2,1H3
InChIKeyUBXRMZXFVCMONI-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.05
Rot. Bonds7

About 3-(2-propoxyethylsulfonylmethyl)azetidine

3-(2-propoxyethylsulfonylmethyl)azetidine (PubChem CID 106460079) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(2-propoxyethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-propoxyethylsulfonylmethyl)azetidine
PubChem CID106460079
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-(2-propoxyethylsulfonylmethyl)azetidine
SMILESCCCOCCS(=O)(=O)CC1CNC1
InChIInChI=1S/C9H19NO3S/c1-2-3-13-4-5-14(11,12)8-9-6-10-7-9/h9-10H,2-8H2,1H3
InChIKeyUBXRMZXFVCMONI-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propoxyethylsulfinylmethyl)azetidine
CID 106460077
3-(3-phenoxypropylsulfonylmethyl)azetidine
CID 81198246
3-(butylsulfonylmethyl)piperidine
CID 82182109
propylsulfonylmethylcyclopropane
CID 20644601
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
CID 115024927
3-(2-propoxyethyl)pyrrolidine
CID 114796170
3-(2-phenylethylsulfonylmethyl)azetidine
CID 81198425
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(2,2-difluoroethylsulfonylmethyl)azetidine
CID 81196505
3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine
CID 81197813

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(2-propoxyethylsulfonylmethyl)azetidine (CID 106460079) is 3-(2-propoxyethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(2-propoxyethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(2-propoxyethylsulfonylmethyl)azetidine is CCCOCCS(=O)(=O)CC1CNC1.
What is the InChIKey of 3-(2-propoxyethylsulfonylmethyl)azetidine?
The InChIKey is UBXRMZXFVCMONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-3-13-4-5-14(11,12)8-9-6-10-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-propoxyethylsulfonylmethyl)azetidine?
3-(2-propoxyethylsulfonylmethyl)azetidine has a molecular weight of 221.32 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethylsulfonylmethyl)azetidine is sourced from PubChem (CID 106460079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).