(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C14H25NO3S — CID 79921218

IUPAC(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCN1CCOC(C(O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H25NO3S/c1-15-4-6-17-12(9-15)13(16)11-2-5-18-14(8-11)3-7-19-10-14/h11-13,16H,2-10H2,1H3
InChIKeyFYBQYQOGGFISEW-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.98
Rot. Bonds2

About (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921218) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79921218
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCN1CCOC(C(O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H25NO3S/c1-15-4-6-17-12(9-15)13(16)11-2-5-18-14(8-11)3-7-19-10-14/h11-13,16H,2-10H2,1H3
InChIKeyFYBQYQOGGFISEW-UHFFFAOYSA-N
XLogP0.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79906629
(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921674
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
(4-methylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
CID 79087190
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921658
(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
CID 79087480

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79921218) is (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is CN1CCOC(C(O)C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is FYBQYQOGGFISEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-15-4-6-17-12(9-15)13(16)11-2-5-18-14(8-11)3-7-19-10-14/h11-13,16H,2-10H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 287.43 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).