1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide

C10H13N3O3S2 — CID 10308312

IUPAC1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCCN1c2nc(S(C)=O)ncc2C=C(C)S1(=O)=O
InChIInChI=1S/C10H13N3O3S2/c1-4-13-9-8(5-7(2)18(13,15)16)6-11-10(12-9)17(3)14/h5-6H,4H2,1-3H3
InChIKeyPBCUPXSRIOUNBY-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.74
Rot. Bonds2

About 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide

1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide (PubChem CID 10308312) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
PubChem CID10308312
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCCN1c2nc(S(C)=O)ncc2C=C(C)S1(=O)=O
InChIInChI=1S/C10H13N3O3S2/c1-4-13-9-8(5-7(2)18(13,15)16)6-11-10(12-9)17(3)14/h5-6H,4H2,1-3H3
InChIKeyPBCUPXSRIOUNBY-UHFFFAOYSA-N
XLogP0.74
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
The IUPAC name of 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide (CID 10308312) is 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide.
What is the SMILES notation for 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
The canonical SMILES for 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide is CCN1c2nc(S(C)=O)ncc2C=C(C)S1(=O)=O.
What is the InChIKey of 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
The InChIKey is PBCUPXSRIOUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-4-13-9-8(5-7(2)18(13,15)16)6-11-10(12-9)17(3)14/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide has a molecular weight of 287.37 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide is sourced from PubChem (CID 10308312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).