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

C14H20O2S2 — CID 79900947

IUPAC1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H20O2S2/c15-13(12-2-6-18-10-12)11-1-5-16-14(9-11)3-7-17-8-4-14/h2,6,10-11,13,15H,1,3-5,7-9H2
InChIKeyRCEKLKBMMVSUFU-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.47
Rot. Bonds2

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

1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol (PubChem CID 79900947) has the molecular formula C14H20O2S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Name1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
PubChem CID79900947
Molecular FormulaC14H20O2S2
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H20O2S2/c15-13(12-2-6-18-10-12)11-1-5-16-14(9-11)3-7-17-8-4-14/h2,6,10-11,13,15H,1,3-5,7-9H2
InChIKeyRCEKLKBMMVSUFU-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
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
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
(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
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592
(4-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914498
(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103348252

Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol?
The IUPAC name of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol (CID 79900947) is 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol.
What is the SMILES notation for 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol?
The canonical SMILES for 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol is OC(c1ccsc1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol?
The InChIKey is RCEKLKBMMVSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S2/c15-13(12-2-6-18-10-12)11-1-5-16-14(9-11)3-7-17-8-4-14/h2,6,10-11,13,15H,1,3-5,7-9H2.
What are the key properties of 1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol?
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol has a molecular weight of 284.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 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(thiophen-3-yl)methanol is sourced from PubChem (CID 79900947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).