2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide

C8H13N3O2S — CID 58259659

IUPAC2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide
SMILESCc1nc2n(n1)CCS(=O)(=O)C2(C)C
InChIInChI=1S/C8H13N3O2S/c1-6-9-7-8(2,3)14(12,13)5-4-11(7)10-6/h4-5H2,1-3H3
InChIKeyMJWLZRHARMLSSA-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.25
Rot. Bonds

About 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide

2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide (PubChem CID 58259659) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide.

Molecular Properties

Compound Name2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide
PubChem CID58259659
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide
SMILESCc1nc2n(n1)CCS(=O)(=O)C2(C)C
InChIInChI=1S/C8H13N3O2S/c1-6-9-7-8(2,3)14(12,13)5-4-11(7)10-6/h4-5H2,1-3H3
InChIKeyMJWLZRHARMLSSA-UHFFFAOYSA-N
XLogP0.25
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide?
The IUPAC name of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide (CID 58259659) is 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide.
What is the SMILES notation for 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide?
The canonical SMILES for 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide is Cc1nc2n(n1)CCS(=O)(=O)C2(C)C.
What is the InChIKey of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide?
The InChIKey is MJWLZRHARMLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-9-7-8(2,3)14(12,13)5-4-11(7)10-6/h4-5H2,1-3H3.
What are the key properties of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide?
2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide has a molecular weight of 215.28 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide is sourced from PubChem (CID 58259659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).