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

C11H21NO5S — CID 58283325

IUPACtert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate
SMILESCC(C)(C)OC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO5S/c1-11(2,3)17-10(13)16-7-4-12-5-8-18(14,15)9-6-12/h4-9H2,1-3H3
InChIKeySXSCGEFCGZEIGS-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.67
Rot. Bonds3

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

tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate (PubChem CID 58283325) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate.

Molecular Properties

Compound Nametert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate
PubChem CID58283325
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nametert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate
SMILESCC(C)(C)OC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO5S/c1-11(2,3)17-10(13)16-7-4-12-5-8-18(14,15)9-6-12/h4-9H2,1-3H3
InChIKeySXSCGEFCGZEIGS-UHFFFAOYSA-N
XLogP0.67
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate?
The IUPAC name of tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate (CID 58283325) is tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate.
What is the SMILES notation for tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate?
The canonical SMILES for tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate is CC(C)(C)OC(=O)OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate?
The InChIKey is SXSCGEFCGZEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-11(2,3)17-10(13)16-7-4-12-5-8-18(14,15)9-6-12/h4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate?
tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate has a molecular weight of 279.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate is sourced from PubChem (CID 58283325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).