(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride

C6H14ClNO3S — CID 110189849

IUPAC(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride
SMILESCCOC(=O)C([NH3+])CS(C)=O.[Cl-]
InChIInChI=1S/C6H13NO3S.ClH/c1-3-10-6(8)5(7)4-11(2)9;/h5H,3-4,7H2,1-2H3;1H
InChIKeyWENYZRMOIMDIPN-UHFFFAOYSA-N
MW215.70 g/mol
LogP-4.46
Rot. Bonds4

About (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride

(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride (PubChem CID 110189849) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride
PubChem CID110189849
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC Name(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride
SMILESCCOC(=O)C([NH3+])CS(C)=O.[Cl-]
InChIInChI=1S/C6H13NO3S.ClH/c1-3-10-6(8)5(7)4-11(2)9;/h5H,3-4,7H2,1-2H3;1H
InChIKeyWENYZRMOIMDIPN-UHFFFAOYSA-N
XLogP-4.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 5-4.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride
CID 11194687
[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 6994014
[(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium chloride
CID 10922646
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
[(2S)-1-ethoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanium
CID 7015307
ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate
CID 140519471
[(1S)-1-cyano-2-ethoxy-2-oxoethyl]azanium
CID 6955332
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
diethyl 2,3-difluorobutanedioate
CID 12868425
diethyl (2S,3R)-2,3-dichlorobutanedioate
CID 13402517
diethyl 2-methylpropanedioate;zirconium
CID 174876844

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride?
The IUPAC name of (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride (CID 110189849) is (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride.
What is the SMILES notation for (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride?
The canonical SMILES for (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride is CCOC(=O)C([NH3+])CS(C)=O.[Cl-].
What is the InChIKey of (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride?
The InChIKey is WENYZRMOIMDIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c1-3-10-6(8)5(7)4-11(2)9;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride?
(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride has a molecular weight of 215.70 g/mol, XLogP of -4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride is sourced from PubChem (CID 110189849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).