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

C16H29NO3S — CID 79906629

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCC(C)N1CCOC(C(O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H29NO3S/c1-12(2)17-5-7-19-14(10-17)15(18)13-3-6-20-16(9-13)4-8-21-11-16/h12-15,18H,3-11H2,1-2H3
InChIKeyDDYPWUIMAPMXFT-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.76
Rot. Bonds3

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

6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol (PubChem CID 79906629) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
PubChem CID79906629
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCC(C)N1CCOC(C(O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H29NO3S/c1-12(2)17-5-7-19-14(10-17)15(18)13-3-6-20-16(9-13)4-8-21-11-16/h12-15,18H,3-11H2,1-2H3
InChIKeyDDYPWUIMAPMXFT-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921218
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
(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921674
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
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

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol (CID 79906629) is 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol is CC(C)N1CCOC(C(O)C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol?
The InChIKey is DDYPWUIMAPMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-12(2)17-5-7-19-14(10-17)15(18)13-3-6-20-16(9-13)4-8-21-11-16/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol?
6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol has a molecular weight of 315.48 g/mol, XLogP of 1.76, 3 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-(4-propan-2-ylmorpholin-2-yl)methanol is sourced from PubChem (CID 79906629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).