methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate

C6H11NO4S — CID 86767726

IUPACmethyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)[C@@H]1CS(=O)(=O)CCN1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyANJDRLZBIZGOSM-YFKPBYRVSA-N
MW193.22 g/mol
LogP-1.45
Rot. Bonds1

About methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate

methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate (PubChem CID 86767726) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate
PubChem CID86767726
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)[C@@H]1CS(=O)(=O)CCN1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyANJDRLZBIZGOSM-YFKPBYRVSA-N
XLogP-1.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
The IUPAC name of methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate (CID 86767726) is methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate.
What is the SMILES notation for methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
The canonical SMILES for methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate is COC(=O)[C@@H]1CS(=O)(=O)CCN1.
What is the InChIKey of methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
The InChIKey is ANJDRLZBIZGOSM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate has a molecular weight of 193.22 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate is sourced from PubChem (CID 86767726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).