ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate

C8H15NO3S — CID 131155373

IUPACethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate
SMILESCCOC(=O)N1CCS(=O)C(C)C1
InChIInChI=1S/C8H15NO3S/c1-3-12-8(10)9-4-5-13(11)7(2)6-9/h7H,3-6H2,1-2H3
InChIKeyVTCGFCMRCGLEPN-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.60
Rot. Bonds1

About ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate

ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate (PubChem CID 131155373) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate
PubChem CID131155373
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Nameethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate
SMILESCCOC(=O)N1CCS(=O)C(C)C1
InChIInChI=1S/C8H15NO3S/c1-3-12-8(10)9-4-5-13(11)7(2)6-9/h7H,3-6H2,1-2H3
InChIKeyVTCGFCMRCGLEPN-UHFFFAOYSA-N
XLogP0.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate?
The IUPAC name of ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate (CID 131155373) is ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate is CCOC(=O)N1CCS(=O)C(C)C1.
What is the InChIKey of ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate?
The InChIKey is VTCGFCMRCGLEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-12-8(10)9-4-5-13(11)7(2)6-9/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate?
ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate has a molecular weight of 205.28 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate is sourced from PubChem (CID 131155373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).