4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine

C11H21NOS — CID 170601732

IUPAC4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
SMILESCCOCC1(CN2CCSCC2)CC1
InChIInChI=1S/C11H21NOS/c1-2-13-10-11(3-4-11)9-12-5-7-14-8-6-12/h2-10H2,1H3
InChIKeyPQJHMNLMPGIZSW-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.85
Rot. Bonds5

About 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine

4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine (PubChem CID 170601732) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
PubChem CID170601732
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
SMILESCCOCC1(CN2CCSCC2)CC1
InChIInChI=1S/C11H21NOS/c1-2-13-10-11(3-4-11)9-12-5-7-14-8-6-12/h2-10H2,1H3
InChIKeyPQJHMNLMPGIZSW-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(1-iodoethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 176926791
6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
CID 176939346
4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine
CID 176568146
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazepane
CID 63129326
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide
CID 65492508
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-thiazepane
CID 65002174
[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol
CID 177010209
[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
CID 62266890
4-ethylthiomorpholine;hydroiodide
CID 143610004

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine?
The IUPAC name of 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine (CID 170601732) is 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine is CCOCC1(CN2CCSCC2)CC1.
What is the InChIKey of 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine?
The InChIKey is PQJHMNLMPGIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-13-10-11(3-4-11)9-12-5-7-14-8-6-12/h2-10H2,1H3.
What are the key properties of 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine?
4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine has a molecular weight of 215.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine is sourced from PubChem (CID 170601732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).