4-ethyl-1,3,4-oxathiazinane 3,3-dioxide

C5H11NO3S — CID 22262783

IUPAC4-ethyl-1,3,4-oxathiazinane 3,3-dioxide
SMILESCCN1CCOCS1(=O)=O
InChIInChI=1S/C5H11NO3S/c1-2-6-3-4-9-5-10(6,7)8/h2-5H2,1H3
InChIKeyZCEHPPFTRXREBM-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.37
Rot. Bonds1

About 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide

4-ethyl-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 22262783) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-ethyl-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID22262783
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name4-ethyl-1,3,4-oxathiazinane 3,3-dioxide
SMILESCCN1CCOCS1(=O)=O
InChIInChI=1S/C5H11NO3S/c1-2-6-3-4-9-5-10(6,7)8/h2-5H2,1H3
InChIKeyZCEHPPFTRXREBM-UHFFFAOYSA-N
XLogP-0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-Methylmorpholin-4-ium-4-yl)methanesulfonate
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4-Methylsulfinylmorpholine
CID 12691777
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4-Propan-2-ylsulfonylmorpholine
CID 22980234
4-(Propylsulfonyl)morpholine
CID 60643321
4-(Difluoromethylsulfonyl)morpholine
CID 58435985
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CID 1927639

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide (CID 22262783) is 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide is CCN1CCOCS1(=O)=O.
What is the InChIKey of 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is ZCEHPPFTRXREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-2-6-3-4-9-5-10(6,7)8/h2-5H2,1H3.
What are the key properties of 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide?
4-ethyl-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 165.21 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 22262783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).