2-(ethylsulfonylmethyl)-1,3-oxazolidine

C6H13NO3S — CID 154189190

IUPAC2-(ethylsulfonylmethyl)-1,3-oxazolidine
SMILESCCS(=O)(=O)CC1NCCO1
InChIInChI=1S/C6H13NO3S/c1-2-11(8,9)5-6-7-3-4-10-6/h6-7H,2-5H2,1H3
InChIKeyXTWAAOOIUHPTOL-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.63
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1,3-oxazolidine

2-(ethylsulfonylmethyl)-1,3-oxazolidine (PubChem CID 154189190) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1,3-oxazolidine
PubChem CID154189190
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-(ethylsulfonylmethyl)-1,3-oxazolidine
SMILESCCS(=O)(=O)CC1NCCO1
InChIInChI=1S/C6H13NO3S/c1-2-11(8,9)5-6-7-3-4-10-6/h6-7H,2-5H2,1H3
InChIKeyXTWAAOOIUHPTOL-UHFFFAOYSA-N
XLogP-0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfonylmethyl)morpholine
CID 84720172
2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
CID 23447106
(2R,3R)-3-ethyl-2-methylmorpholine
CID 86724518
imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane
CID 176694413
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
CID 68522926
2-hydroxymorpholine-3-sulfonic acid
CID 100916950
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
3-ethyl-2-propan-2-ylmorpholine
CID 146215261
1-[2-(1,3-oxazolidin-2-yl)ethoxy]ethanol
CID 141360794
2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225781
2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine
CID 117225837
2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol
CID 67610429

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-(ethylsulfonylmethyl)-1,3-oxazolidine (CID 154189190) is 2-(ethylsulfonylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1,3-oxazolidine is CCS(=O)(=O)CC1NCCO1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1,3-oxazolidine?
The InChIKey is XTWAAOOIUHPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-11(8,9)5-6-7-3-4-10-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1,3-oxazolidine?
2-(ethylsulfonylmethyl)-1,3-oxazolidine has a molecular weight of 179.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 154189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).