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

C15H27NO2S — CID 106634585

IUPAC1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol
SMILESOC(C1CCOC2(CCSCC2)C1)C1CCCCN1
InChIInChI=1S/C15H27NO2S/c17-14(13-3-1-2-7-16-13)12-4-8-18-15(11-12)5-9-19-10-6-15/h12-14,16-17H,1-11H2
InChIKeyISYJGCLUSMEWCG-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.18
Rot. Bonds2

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

1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol (PubChem CID 106634585) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol.

Molecular Properties

Compound Name1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol
PubChem CID106634585
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol
SMILESOC(C1CCOC2(CCSCC2)C1)C1CCCCN1
InChIInChI=1S/C15H27NO2S/c17-14(13-3-1-2-7-16-13)12-4-8-18-15(11-12)5-9-19-10-6-15/h12-14,16-17H,1-11H2
InChIKeyISYJGCLUSMEWCG-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-3-yl)methanol
CID 80559224
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
(1,1-dioxothiolan-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115336503
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 79954233
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
(5,6-dimethyl-1,4-dithian-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103345120

Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol?
The IUPAC name of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol (CID 106634585) is 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol.
What is the SMILES notation for 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol?
The canonical SMILES for 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol is OC(C1CCOC2(CCSCC2)C1)C1CCCCN1.
What is the InChIKey of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol?
The InChIKey is ISYJGCLUSMEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c17-14(13-3-1-2-7-16-13)12-4-8-18-15(11-12)5-9-19-10-6-15/h12-14,16-17H,1-11H2.
What are the key properties of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol?
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol has a molecular weight of 285.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol is sourced from PubChem (CID 106634585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).