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

C10H13N3O2S2 — CID 10192898

IUPAC1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCCN1c2nc(SC)ncc2C=C(C)S1(=O)=O
InChIInChI=1S/C10H13N3O2S2/c1-4-13-9-8(5-7(2)17(13,14)15)6-11-10(12-9)16-3/h5-6H,4H2,1-3H3
InChIKeyZSACPLPEFRUDHI-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.73
Rot. Bonds2

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

1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide (PubChem CID 10192898) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
PubChem CID10192898
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCCN1c2nc(SC)ncc2C=C(C)S1(=O)=O
InChIInChI=1S/C10H13N3O2S2/c1-4-13-9-8(5-7(2)17(13,14)15)6-11-10(12-9)16-3/h5-6H,4H2,1-3H3
InChIKeyZSACPLPEFRUDHI-UHFFFAOYSA-N
XLogP1.73
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Fluoro-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine
CID 154452086
2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrido[2,3-d]pyrimidine
CID 174243545
2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine
CID 119084631
1-Cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
CID 10149831
1-Cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
CID 10215040
1-Cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
CID 10215177
1-Cyclopentyl-3-ethyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
CID 10236865
1-Ethyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
CID 10308312
8-Ethyl-2-(methylsulfonyl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 10848478
2-methylsulfanyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine
CID 18342756
8-Methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
CID 18374886
8-methyl-2-methanesulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 18374925

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The IUPAC name of 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide (CID 10192898) is 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide.
What is the SMILES notation for 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The canonical SMILES for 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide is CCN1c2nc(SC)ncc2C=C(C)S1(=O)=O.
What is the InChIKey of 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The InChIKey is ZSACPLPEFRUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-4-13-9-8(5-7(2)17(13,14)15)6-11-10(12-9)16-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
1-ethyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide has a molecular weight of 271.37 g/mol, XLogP of 1.73, 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-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide is sourced from PubChem (CID 10192898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).