3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide

C8H13N3O2S — CID 69037832

IUPAC3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1ccc(C2CS(=O)(=O)CCN2)n1
InChIInChI=1S/C8H13N3O2S/c1-11-4-2-7(10-11)8-6-14(12,13)5-3-9-8/h2,4,8-9H,3,5-6H2,1H3
InChIKeyIHOJAMYHWVYXNF-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.52
Rot. Bonds1

About 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide

3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 69037832) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID69037832
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1ccc(C2CS(=O)(=O)CCN2)n1
InChIInChI=1S/C8H13N3O2S/c1-11-4-2-7(10-11)8-6-14(12,13)5-3-9-8/h2,4,8-9H,3,5-6H2,1H3
InChIKeyIHOJAMYHWVYXNF-UHFFFAOYSA-N
XLogP-0.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-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 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide (CID 69037832) is 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide is Cn1ccc(C2CS(=O)(=O)CCN2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is IHOJAMYHWVYXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11-4-2-7(10-11)8-6-14(12,13)5-3-9-8/h2,4,8-9H,3,5-6H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide?
3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 215.28 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 69037832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).