2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide

C13H20N2O3S — CID 117233939

IUPAC2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1COc1cnn(C2CCCC2)c1
InChIInChI=1S/C13H20N2O3S/c16-19(17)7-3-6-13(19)10-18-12-8-14-15(9-12)11-4-1-2-5-11/h8-9,11,13H,1-7,10H2
InChIKeyMCTFASTZPNGCIS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.95
Rot. Bonds4

About 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide

2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide (PubChem CID 117233939) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
PubChem CID117233939
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1COc1cnn(C2CCCC2)c1
InChIInChI=1S/C13H20N2O3S/c16-19(17)7-3-6-13(19)10-18-12-8-14-15(9-12)11-4-1-2-5-11/h8-9,11,13H,1-7,10H2
InChIKeyMCTFASTZPNGCIS-UHFFFAOYSA-N
XLogP1.95
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-phenylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
CID 117233952
1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
CID 117233841
1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
CID 117233866
1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
CID 117233942
2-(1H-pyrazol-4-yloxymethyl)thiolane 1,1-dioxide
CID 117233453
1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
CID 117233938
1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
CID 117233842
1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233974
1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233979
1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
CID 117233784
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
CID 117234155

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide (CID 117233939) is 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide is O=S1(=O)CCCC1COc1cnn(C2CCCC2)c1.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide?
The InChIKey is MCTFASTZPNGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-19(17)7-3-6-13(19)10-18-12-8-14-15(9-12)11-4-1-2-5-11/h8-9,11,13H,1-7,10H2.
What are the key properties of 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide?
2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide has a molecular weight of 284.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117233939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).