2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine

C15H27NO3S — CID 102633738

IUPAC2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine
SMILESCC1CNCC(COC2CCOC3(CCSCC3)C2)O1
InChIInChI=1S/C15H27NO3S/c1-12-9-16-10-14(19-12)11-17-13-2-5-18-15(8-13)3-6-20-7-4-15/h12-14,16H,2-11H2,1H3
InChIKeySBLNFIFGHYQEIH-UHFFFAOYSA-N
MW301.45 g/mol
LogP1.82
Rot. Bonds3

About 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine

2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine (PubChem CID 102633738) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine.

Molecular Properties

Compound Name2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine
PubChem CID102633738
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine
SMILESCC1CNCC(COC2CCOC3(CCSCC3)C2)O1
InChIInChI=1S/C15H27NO3S/c1-12-9-16-10-14(19-12)11-17-13-2-5-18-15(8-13)3-6-20-7-4-15/h12-14,16H,2-11H2,1H3
InChIKeySBLNFIFGHYQEIH-UHFFFAOYSA-N
XLogP1.82
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
CID 79893870
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
CID 83065900
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
CID 79894474
[6-methyl-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)morpholin-2-yl]methanamine
CID 102938976
(2S,6R)-2-(methoxymethyl)-6-methylmorpholine
CID 95252382
(2S)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)propanoic acid
CID 104875819
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133139412
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
2-(butoxymethyl)-6-methylmorpholine
CID 102633707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine?
The IUPAC name of 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine (CID 102633738) is 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine.
What is the SMILES notation for 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine?
The canonical SMILES for 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine is CC1CNCC(COC2CCOC3(CCSCC3)C2)O1.
What is the InChIKey of 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine?
The InChIKey is SBLNFIFGHYQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-12-9-16-10-14(19-12)11-17-13-2-5-18-15(8-13)3-6-20-7-4-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine?
2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine has a molecular weight of 301.45 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine is sourced from PubChem (CID 102633738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).