6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol

C13H18O2S2 — CID 79900946

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H18O2S2/c14-12(11-2-5-16-8-11)10-1-4-15-13(7-10)3-6-17-9-13/h2,5,8,10,12,14H,1,3-4,6-7,9H2
InChIKeyLNZDTLRDFSMZNZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.08
Rot. Bonds2

About 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol

6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol (PubChem CID 79900946) has the molecular formula C13H18O2S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
PubChem CID79900946
Molecular FormulaC13H18O2S2
Molecular Weight270.42 g/mol
Exact Mass270.07
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H18O2S2/c14-12(11-2-5-16-8-11)10-1-4-15-13(7-10)3-6-17-9-13/h2,5,8,10,12,14H,1,3-4,6-7,9H2
InChIKeyLNZDTLRDFSMZNZ-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757
6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
CID 81153788
(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
(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
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
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol (CID 79900946) is 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol is OC(c1ccsc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol?
The InChIKey is LNZDTLRDFSMZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S2/c14-12(11-2-5-16-8-11)10-1-4-15-13(7-10)3-6-17-9-13/h2,5,8,10,12,14H,1,3-4,6-7,9H2.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol?
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol has a molecular weight of 270.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol is sourced from PubChem (CID 79900946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).