(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

C14H22N2O2S — CID 114554117

IUPAC(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCn1nccc1C(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H22N2O2S/c1-16-12(2-6-15-16)13(17)11-3-7-18-14(10-11)4-8-19-9-5-14/h2,6,11,13,17H,3-5,7-10H2,1H3
InChIKeyWSJVYVKVWZVISK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (PubChem CID 114554117) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
PubChem CID114554117
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCn1nccc1C(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H22N2O2S/c1-16-12(2-6-15-16)13(17)11-3-7-18-14(10-11)4-8-19-9-5-14/h2,6,11,13,17H,3-5,7-10H2,1H3
InChIKeyWSJVYVKVWZVISK-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridazin-4-yl)methanol
CID 105116776
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791
(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol
CID 63960737
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631
(3-ethyl-1-methylpyrazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115990432
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322157
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103348252
N-[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105166196

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (CID 114554117) is (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is Cn1nccc1C(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is WSJVYVKVWZVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16-12(2-6-15-16)13(17)11-3-7-18-14(10-11)4-8-19-9-5-14/h2,6,11,13,17H,3-5,7-10H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 282.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 114554117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).