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

C9H15N3O2S — CID 75525951

IUPAC3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCn1cc(C2CS(=O)(=O)CCN2)cn1
InChIInChI=1S/C9H15N3O2S/c1-2-12-6-8(5-11-12)9-7-15(13,14)4-3-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKeyYAQKHIPQBSJHGZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.04
Rot. Bonds2

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

3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 75525951) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID75525951
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCn1cc(C2CS(=O)(=O)CCN2)cn1
InChIInChI=1S/C9H15N3O2S/c1-2-12-6-8(5-11-12)9-7-15(13,14)4-3-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKeyYAQKHIPQBSJHGZ-UHFFFAOYSA-N
XLogP-0.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethylpyrazol-4-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-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide (CID 75525951) is 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide is CCn1cc(C2CS(=O)(=O)CCN2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is YAQKHIPQBSJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-12-6-8(5-11-12)9-7-15(13,14)4-3-10-9/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide?
3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 229.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75525951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).