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

C14H19N3O2S2 — CID 10215177

IUPAC1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCCC1=Cc2cnc(SC)nc2N(C2CCCC2)S1(=O)=O
InChIInChI=1S/C14H19N3O2S2/c1-3-12-8-10-9-15-14(20-2)16-13(10)17(21(12,18)19)11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeySCLHDAURCJLTBO-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.04
Rot. Bonds3

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

1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide (PubChem CID 10215177) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
PubChem CID10215177
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide
SMILESCCC1=Cc2cnc(SC)nc2N(C2CCCC2)S1(=O)=O
InChIInChI=1S/C14H19N3O2S2/c1-3-12-8-10-9-15-14(20-2)16-13(10)17(21(12,18)19)11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeySCLHDAURCJLTBO-UHFFFAOYSA-N
XLogP3.04
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The IUPAC name of 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide (CID 10215177) is 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The canonical SMILES for 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide is CCC1=Cc2cnc(SC)nc2N(C2CCCC2)S1(=O)=O.
What is the InChIKey of 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
The InChIKey is SCLHDAURCJLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-12-8-10-9-15-14(20-2)16-13(10)17(21(12,18)19)11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide?
1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide has a molecular weight of 325.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-7-methylsulfanylpyrimido[4,5-c]thiazine 2,2-dioxide is sourced from PubChem (CID 10215177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).