8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C12H19N3O3S2 — CID 155530448

IUPAC8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1c(S(=O)(=O)N2CCC3(CC2)OCCS3)cnn1C
InChIInChI=1S/C12H19N3O3S2/c1-10-11(9-13-14(10)2)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h9H,3-8H2,1-2H3
InChIKeyXCDCEQFXGLOGMG-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.97
Rot. Bonds2

About 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 155530448) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID155530448
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1c(S(=O)(=O)N2CCC3(CC2)OCCS3)cnn1C
InChIInChI=1S/C12H19N3O3S2/c1-10-11(9-13-14(10)2)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h9H,3-8H2,1-2H3
InChIKeyXCDCEQFXGLOGMG-UHFFFAOYSA-N
XLogP0.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806339
8-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806933
8-(1,3-Dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 155528323
4-Cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
CID 128780083
(6S)-5,6-dimethyl-3-(oxolan-3-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 132158642
5,6-dimethyl-3-(oxolan-3-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 132158694
8-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467132
4-[(1,5-Dimethylpyrazol-4-yl)sulfonyl]morpholine
CID 17370779
1,3-Dimethyl-4-(piperidylsulfonyl)pyrazole
CID 17371565
4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 17371566
4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 17371568
4-[(1-Ethyl-3-methylpyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 17375833

Frequently Asked Questions

What is the IUPAC name of 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 155530448) is 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is Cc1c(S(=O)(=O)N2CCC3(CC2)OCCS3)cnn1C.
What is the InChIKey of 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is XCDCEQFXGLOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-10-11(9-13-14(10)2)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h9H,3-8H2,1-2H3.
What are the key properties of 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 317.44 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 155530448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).