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

C13H17N3O2S2 — CID 10215040

IUPAC1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCSc1ncc2c(n1)N(C1CCCC1)S(=O)(=O)C(C)=C2
InChIInChI=1S/C13H17N3O2S2/c1-9-7-10-8-14-13(19-2)15-12(10)16(20(9,17)18)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeySVYMPJHENPMIQS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.65
Rot. Bonds2

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

1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide (PubChem CID 10215040) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
PubChem CID10215040
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCSc1ncc2c(n1)N(C1CCCC1)S(=O)(=O)C(C)=C2
InChIInChI=1S/C13H17N3O2S2/c1-9-7-10-8-14-13(19-2)15-12(10)16(20(9,17)18)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeySVYMPJHENPMIQS-UHFFFAOYSA-N
XLogP2.65
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The IUPAC name of 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide (CID 10215040) is 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide.
What is the SMILES notation for 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The canonical SMILES for 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide is CSc1ncc2c(n1)N(C1CCCC1)S(=O)(=O)C(C)=C2.
What is the InChIKey of 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The InChIKey is SVYMPJHENPMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-7-10-8-14-13(19-2)15-12(10)16(20(9,17)18)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
1-cyclopentyl-3-methyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide has a molecular weight of 311.43 g/mol, XLogP of 2.65, 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-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide is sourced from PubChem (CID 10215040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).