3-pyrazol-1-ylthiolane 1,1-dioxide

C7H10N2O2S — CID 43531677

IUPAC3-pyrazol-1-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cccn2)C1
InChIInChI=1S/C7H10N2O2S/c10-12(11)5-2-7(6-12)9-4-1-3-8-9/h1,3-4,7H,2,5-6H2
InChIKeyPFIFVPYNENWRNN-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.24
Rot. Bonds1

About 3-pyrazol-1-ylthiolane 1,1-dioxide

3-pyrazol-1-ylthiolane 1,1-dioxide (PubChem CID 43531677) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-pyrazol-1-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-pyrazol-1-ylthiolane 1,1-dioxide
PubChem CID43531677
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-pyrazol-1-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cccn2)C1
InChIInChI=1S/C7H10N2O2S/c10-12(11)5-2-7(6-12)9-4-1-3-8-9/h1,3-4,7H,2,5-6H2
InChIKeyPFIFVPYNENWRNN-UHFFFAOYSA-N
XLogP0.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylpyrazole
CID 10844435
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide
CID 126900371
3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
CID 61057040
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-pyrazol-1-ylazetidin-1-yl)propanamide
CID 95280512
(3R)-3-(3-iodo-1,2,4-triazol-1-yl)thiolane 1,1-dioxide
CID 97049415
4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
CID 171992327
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 24689706
1-(1-cyclobutylazetidin-3-yl)pyrazole
CID 131134144
1-[1-(1,1-dioxothiolan-3-yl)triazol-4-yl]ethanamine
CID 114419780
2-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]aniline
CID 63338604
3-[4-(2-iodophenyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 79787504
2-(1,1-dioxothiolan-3-yl)pyrazole-3-carbaldehyde
CID 84734827

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylthiolane 1,1-dioxide?
The IUPAC name of 3-pyrazol-1-ylthiolane 1,1-dioxide (CID 43531677) is 3-pyrazol-1-ylthiolane 1,1-dioxide.
What is the SMILES notation for 3-pyrazol-1-ylthiolane 1,1-dioxide?
The canonical SMILES for 3-pyrazol-1-ylthiolane 1,1-dioxide is O=S1(=O)CCC(n2cccn2)C1.
What is the InChIKey of 3-pyrazol-1-ylthiolane 1,1-dioxide?
The InChIKey is PFIFVPYNENWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-12(11)5-2-7(6-12)9-4-1-3-8-9/h1,3-4,7H,2,5-6H2.
What are the key properties of 3-pyrazol-1-ylthiolane 1,1-dioxide?
3-pyrazol-1-ylthiolane 1,1-dioxide has a molecular weight of 186.24 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylthiolane 1,1-dioxide is sourced from PubChem (CID 43531677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).