(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C14H22N2O2S — CID 79912631

IUPAC(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCc1c(C(O)C2CCOC3(CCSC3)C2)cnn1C
InChIInChI=1S/C14H22N2O2S/c1-10-12(8-15-16(10)2)13(17)11-3-5-18-14(7-11)4-6-19-9-14/h8,11,13,17H,3-7,9H2,1-2H3
InChIKeyUEKMCOUPVHBMQG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.06
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79912631) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79912631
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCc1c(C(O)C2CCOC3(CCSC3)C2)cnn1C
InChIInChI=1S/C14H22N2O2S/c1-10-12(8-15-16(10)2)13(17)11-3-5-18-14(7-11)4-6-19-9-14/h8,11,13,17H,3-7,9H2,1-2H3
InChIKeyUEKMCOUPVHBMQG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(2-methoxy-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823502
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
6-oxa-2-thiaspiro[4.5]decan-9-yl-(2,3,4-trifluorophenyl)methanol
CID 115823440
(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79907456
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79912631) is (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is Cc1c(C(O)C2CCOC3(CCSC3)C2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is UEKMCOUPVHBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-12(8-15-16(10)2)13(17)11-3-5-18-14(7-11)4-6-19-9-14/h8,11,13,17H,3-7,9H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 282.41 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79912631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).