2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate

C8H15NO5S — CID 58283123

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate
SMILESCOC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO5S/c1-13-8(10)14-5-2-9-3-6-15(11,12)7-4-9/h2-7H2,1H3
InChIKeyWWZRZJHBLXJLKJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.50
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate (PubChem CID 58283123) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate
PubChem CID58283123
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate
SMILESCOC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO5S/c1-13-8(10)14-5-2-9-3-6-15(11,12)7-4-9/h2-7H2,1H3
InChIKeyWWZRZJHBLXJLKJ-UHFFFAOYSA-N
XLogP-0.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate (CID 58283123) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate is COC(=O)OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate?
The InChIKey is WWZRZJHBLXJLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-13-8(10)14-5-2-9-3-6-15(11,12)7-4-9/h2-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate has a molecular weight of 237.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate is sourced from PubChem (CID 58283123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).