5-(methoxymethyl)-3,3-dimethylthiomorpholine

C8H17NOS — CID 107511181

IUPAC5-(methoxymethyl)-3,3-dimethylthiomorpholine
SMILESCOCC1CSCC(C)(C)N1
InChIInChI=1S/C8H17NOS/c1-8(2)6-11-5-7(9-8)4-10-3/h7,9H,4-6H2,1-3H3
InChIKeyWFCOCIVQUWYEFQ-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds2

About 5-(methoxymethyl)-3,3-dimethylthiomorpholine

5-(methoxymethyl)-3,3-dimethylthiomorpholine (PubChem CID 107511181) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 5-(methoxymethyl)-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name5-(methoxymethyl)-3,3-dimethylthiomorpholine
PubChem CID107511181
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name5-(methoxymethyl)-3,3-dimethylthiomorpholine
SMILESCOCC1CSCC(C)(C)N1
InChIInChI=1S/C8H17NOS/c1-8(2)6-11-5-7(9-8)4-10-3/h7,9H,4-6H2,1-3H3
InChIKeyWFCOCIVQUWYEFQ-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66229002
5-cyclobutyl-3,3-dimethylthiomorpholine
CID 126985980
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CID 135013065
5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine
CID 66229689
2-(methoxymethyl)azetidine
CID 58227482
2-(methoxymethyl)thiirane
CID 29837
3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine
CID 66230863
(5S)-2-methoxy-5-(methoxymethyl)pyrrolidine
CID 171535887
(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane
CID 152824171
6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid
CID 170157193
N-(2-methoxyethoxy)-5,5-dimethylthian-3-amine
CID 82711790
(2R)-2-(methoxymethyl)piperazine;dihydrochloride
CID 146013224

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3,3-dimethylthiomorpholine?
The IUPAC name of 5-(methoxymethyl)-3,3-dimethylthiomorpholine (CID 107511181) is 5-(methoxymethyl)-3,3-dimethylthiomorpholine.
What is the SMILES notation for 5-(methoxymethyl)-3,3-dimethylthiomorpholine?
The canonical SMILES for 5-(methoxymethyl)-3,3-dimethylthiomorpholine is COCC1CSCC(C)(C)N1.
What is the InChIKey of 5-(methoxymethyl)-3,3-dimethylthiomorpholine?
The InChIKey is WFCOCIVQUWYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2)6-11-5-7(9-8)4-10-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-3,3-dimethylthiomorpholine?
5-(methoxymethyl)-3,3-dimethylthiomorpholine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3,3-dimethylthiomorpholine is sourced from PubChem (CID 107511181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).