3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

C10H16N2O2S — CID 165468982

IUPAC3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCCCCc1n[nH]c2c1CS(=O)(=O)CC2
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-9-8-7-15(13,14)6-5-10(8)12-11-9/h2-7H2,1H3,(H,11,12)
InChIKeyKCZGLYLVGKFZOW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.22
Rot. Bonds3

About 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 165468982) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
PubChem CID165468982
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCCCCc1n[nH]c2c1CS(=O)(=O)CC2
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-9-8-7-15(13,14)6-5-10(8)12-11-9/h2-7H2,1H3,(H,11,12)
InChIKeyKCZGLYLVGKFZOW-UHFFFAOYSA-N
XLogP1.22
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide 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

N-(2-methoxyethyl)-5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-amine
CID 63049908
(4aR,8aR)-3-butyl-6-methyl-1,4,4a,5,7,8,8a,9-octahydropyrazolo[5,4-g]isoquinoline
CID 67793863
4-butyl-5-propyl-2H-triazole
CID 69382239
3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
CID 82401679
3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine
CID 83845823
4,5-dibutyl-2H-triazole
CID 54195681
4-butyl-5-nitro-2H-triazole
CID 15751540
3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
CID 118489298
1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 28881445
8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751914
2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine
CID 82414032
6-pentyl-2H-1,2,4-triazine-3,5-dione
CID 45071934

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 165468982) is 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is CCCCc1n[nH]c2c1CS(=O)(=O)CC2.
What is the InChIKey of 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is KCZGLYLVGKFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-4-9-8-7-15(13,14)6-5-10(8)12-11-9/h2-7H2,1H3,(H,11,12).
What are the key properties of 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 228.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 165468982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).