6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol

C16H19NO2S2 — CID 81153788

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
SMILESOC(c1cnc2ccsc2c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H19NO2S2/c18-15(12-7-14-13(17-9-12)2-5-21-14)11-1-4-19-16(8-11)3-6-20-10-16/h2,5,7,9,11,15,18H,1,3-4,6,8,10H2
InChIKeyFAKRXQGZKWTMMT-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.63
Rot. Bonds2

About 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol

6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol (PubChem CID 81153788) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
PubChem CID81153788
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
SMILESOC(c1cnc2ccsc2c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H19NO2S2/c18-15(12-7-14-13(17-9-12)2-5-21-14)11-1-4-19-16(8-11)3-6-20-10-16/h2,5,7,9,11,15,18H,1,3-4,6,8,10H2
InChIKeyFAKRXQGZKWTMMT-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol with MolForge

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Related Compounds

(5R,9S)-N-[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 99108503
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81143484
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridazin-4-yl)methanol
CID 105116776
(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79913942
(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823429
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol (CID 81153788) is 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol is OC(c1cnc2ccsc2c1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol?
The InChIKey is FAKRXQGZKWTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c18-15(12-7-14-13(17-9-12)2-5-21-14)11-1-4-19-16(8-11)3-6-20-10-16/h2,5,7,9,11,15,18H,1,3-4,6,8,10H2.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol?
6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol has a molecular weight of 321.47 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol is sourced from PubChem (CID 81153788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).