3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide

C10H16N2O3S — CID 117233469

IUPAC3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
SMILESCn1cc(OCC2CCCS(=O)(=O)C2)cn1
InChIInChI=1S/C10H16N2O3S/c1-12-6-10(5-11-12)15-7-9-3-2-4-16(13,14)8-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWTVWZZLIDAUDGB-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.62
Rot. Bonds3

About 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide

3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide (PubChem CID 117233469) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
PubChem CID117233469
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
SMILESCn1cc(OCC2CCCS(=O)(=O)C2)cn1
InChIInChI=1S/C10H16N2O3S/c1-12-6-10(5-11-12)15-7-9-3-2-4-16(13,14)8-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWTVWZZLIDAUDGB-UHFFFAOYSA-N
XLogP0.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-4-(3-propan-2-ylsulfonylpropoxy)pyrazole
CID 99839098
3-(1-Pentylpyrazol-4-yl)oxy-3-pentylsulfonylpropan-1-amine
CID 68414849
1-Ethyl-4-(3-methylsulfanylpropoxy)pyrazole
CID 99715821
1-Methyl-4-[3-(2-methylpropylsulfanyl)propoxy]pyrazole
CID 99839029
1-Ethyl-4-[2-(2-methylpropylsulfanyl)ethoxy]pyrazole
CID 99839133
3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide
CID 100731015
9-(1-Methylpyrazol-4-yl)oxynonane-1-sulfonamide
CID 105343945
9-(1-Ethylpyrazol-4-yl)oxynonane-1-sulfonamide
CID 105343946
4-(2-Tert-butylsulfonylethoxy)-1-methylpyrazole
CID 106732654
1-Methyl-4-(2-propylsulfonylethoxy)pyrazole
CID 106732655
1-Methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole
CID 106732656
4-(2-Tert-butylsulfonylethoxy)-1-ethylpyrazole
CID 106732657

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide (CID 117233469) is 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide is Cn1cc(OCC2CCCS(=O)(=O)C2)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide?
The InChIKey is WTVWZZLIDAUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-12-6-10(5-11-12)15-7-9-3-2-4-16(13,14)8-9/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide?
3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide has a molecular weight of 244.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide is sourced from PubChem (CID 117233469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).