3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide

C7H9N3O2S — CID 10679495

IUPAC3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1Nc2cccnc2S(=O)(=O)N1
InChIInChI=1S/C7H9N3O2S/c1-5-9-6-3-2-4-8-7(6)13(11,12)10-5/h2-5,9-10H,1H3
InChIKeyWEARCONSHKAHEI-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.13
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide

3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10679495) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10679495
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1Nc2cccnc2S(=O)(=O)N1
InChIInChI=1S/C7H9N3O2S/c1-5-9-6-3-2-4-8-7(6)13(11,12)10-5/h2-5,9-10H,1H3
InChIKeyWEARCONSHKAHEI-UHFFFAOYSA-N
XLogP0.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide (CID 10679495) is 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide is CC1Nc2cccnc2S(=O)(=O)N1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is WEARCONSHKAHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-5-9-6-3-2-4-8-7(6)13(11,12)10-5/h2-5,9-10H,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 199.24 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10679495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).