methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate

C8H10N2O3S — CID 611764

IUPACmethyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate
SMILESC/N=c1\sc(C(=O)OC)cc(=O)n1C
InChIInChI=1S/C8H10N2O3S/c1-9-8-10(2)6(11)4-5(14-8)7(12)13-3/h4H,1-3H3/b9-8-
InChIKeyZVXDKEBQUGKHLQ-HJWRWDBZSA-N
MW214.25 g/mol
LogP-0.24
Rot. Bonds1

About methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate

methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate (PubChem CID 611764) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate
PubChem CID611764
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Namemethyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate
SMILESC/N=c1\sc(C(=O)OC)cc(=O)n1C
InChIInChI=1S/C8H10N2O3S/c1-9-8-10(2)6(11)4-5(14-8)7(12)13-3/h4H,1-3H3/b9-8-
InChIKeyZVXDKEBQUGKHLQ-HJWRWDBZSA-N
XLogP-0.24
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate?
The IUPAC name of methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate (CID 611764) is methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate.
What is the SMILES notation for methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate?
The canonical SMILES for methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate is C/N=c1\sc(C(=O)OC)cc(=O)n1C.
What is the InChIKey of methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate?
The InChIKey is ZVXDKEBQUGKHLQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-9-8-10(2)6(11)4-5(14-8)7(12)13-3/h4H,1-3H3/b9-8-.
What are the key properties of methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate?
methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate has a molecular weight of 214.25 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 611764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).