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

C8H13N3O2S — CID 75525911

IUPAC3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1cc(C2CS(=O)(=O)CCN2)cn1
InChIInChI=1S/C8H13N3O2S/c1-11-5-7(4-10-11)8-6-14(12,13)3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKeyAEYACIYNEYLFGQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.52
Rot. Bonds1

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

3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 75525911) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID75525911
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1cc(C2CS(=O)(=O)CCN2)cn1
InChIInChI=1S/C8H13N3O2S/c1-11-5-7(4-10-11)8-6-14(12,13)3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKeyAEYACIYNEYLFGQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide (CID 75525911) is 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide is Cn1cc(C2CS(=O)(=O)CCN2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is AEYACIYNEYLFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11-5-7(4-10-11)8-6-14(12,13)3-2-9-8/h4-5,8-9H,2-3,6H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
3-(1-methylpyrazol-4-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-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75525911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).