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

C13H17N3O3S2 — CID 10149831

IUPAC1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCC1=Cc2cnc(S(C)=O)nc2N(C2CCCC2)S1(=O)=O
InChIInChI=1S/C13H17N3O3S2/c1-9-7-10-8-14-13(20(2)17)15-12(10)16(21(9,18)19)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyOFQFRGVPEWYBDJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.67
Rot. Bonds2

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

1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide (PubChem CID 10149831) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
PubChem CID10149831
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCC1=Cc2cnc(S(C)=O)nc2N(C2CCCC2)S1(=O)=O
InChIInChI=1S/C13H17N3O3S2/c1-9-7-10-8-14-13(20(2)17)15-12(10)16(21(9,18)19)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyOFQFRGVPEWYBDJ-UHFFFAOYSA-N
XLogP1.67
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
The IUPAC name of 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide (CID 10149831) is 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide.
What is the SMILES notation for 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
The canonical SMILES for 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide is CC1=Cc2cnc(S(C)=O)nc2N(C2CCCC2)S1(=O)=O.
What is the InChIKey of 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
The InChIKey is OFQFRGVPEWYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9-7-10-8-14-13(20(2)17)15-12(10)16(21(9,18)19)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide?
1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide has a molecular weight of 327.43 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-7-methylsulfinylpyrimido[4,5-c]thiazine 2,2-dioxide is sourced from PubChem (CID 10149831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).