4-ethyloxathiazinane 2,2-dioxide

C5H11NO3S — CID 86001876

IUPAC4-ethyloxathiazinane 2,2-dioxide
SMILESCCC1CCOS(=O)(=O)N1
InChIInChI=1S/C5H11NO3S/c1-2-5-3-4-9-10(7,8)6-5/h5-6H,2-4H2,1H3
InChIKeyYUGIMGMSIVRLMC-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.02
Rot. Bonds1

About 4-ethyloxathiazinane 2,2-dioxide

4-ethyloxathiazinane 2,2-dioxide (PubChem CID 86001876) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-ethyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-ethyloxathiazinane 2,2-dioxide
PubChem CID86001876
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name4-ethyloxathiazinane 2,2-dioxide
SMILESCCC1CCOS(=O)(=O)N1
InChIInChI=1S/C5H11NO3S/c1-2-5-3-4-9-10(7,8)6-5/h5-6H,2-4H2,1H3
InChIKeyYUGIMGMSIVRLMC-UHFFFAOYSA-N
XLogP0.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-N-benzyl-4-methyl-2,2-dioxooxathiazepan-5-amine
CID 102080126
4-(4-bromophenyl)oxathiazinane 2,2-dioxide
CID 91844925
(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide
CID 176577581
3-pentyl-1,2-thiazolidine 1,1-dioxide
CID 156697897
4-hexylidene-2,2-dioxooxathiazepan-5-ol
CID 123145858
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
CID 1492482
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
(2,2-dioxooxathiolan-3-yl) ethyl carbonate
CID 90002943
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145

Frequently Asked Questions

What is the IUPAC name of 4-ethyloxathiazinane 2,2-dioxide?
The IUPAC name of 4-ethyloxathiazinane 2,2-dioxide (CID 86001876) is 4-ethyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-ethyloxathiazinane 2,2-dioxide?
The canonical SMILES for 4-ethyloxathiazinane 2,2-dioxide is CCC1CCOS(=O)(=O)N1.
What is the InChIKey of 4-ethyloxathiazinane 2,2-dioxide?
The InChIKey is YUGIMGMSIVRLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-2-5-3-4-9-10(7,8)6-5/h5-6H,2-4H2,1H3.
What are the key properties of 4-ethyloxathiazinane 2,2-dioxide?
4-ethyloxathiazinane 2,2-dioxide has a molecular weight of 165.21 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 86001876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).