3-(morpholin-4-ylmethyl)thiolan-3-ol

C9H17NO2S — CID 84733988

IUPAC3-(morpholin-4-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCOCC2)CCSC1
InChIInChI=1S/C9H17NO2S/c11-9(1-6-13-8-9)7-10-2-4-12-5-3-10/h11H,1-8H2
InChIKeyLNHOZLYJRKOTEV-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.19
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)thiolan-3-ol

3-(morpholin-4-ylmethyl)thiolan-3-ol (PubChem CID 84733988) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)thiolan-3-ol
PubChem CID84733988
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-(morpholin-4-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCOCC2)CCSC1
InChIInChI=1S/C9H17NO2S/c11-9(1-6-13-8-9)7-10-2-4-12-5-3-10/h11H,1-8H2
InChIKeyLNHOZLYJRKOTEV-UHFFFAOYSA-N
XLogP0.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-6-oxa-2lambda4-thia-9-azaspiro[4.5]decane 2-oxide
CID 155131227
9-Methyl-6-oxa-2-thia-9-azaspiro[4.5]decane
CID 155131264
4-[2-(3-Ethoxy-3-methylbutyl)sulfanylethyl]morpholine
CID 167018730
(2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
CID 11108595
4-(2-Morpholin-4-ylethyl)thiolan-3-ol
CID 83191146
3-(Piperidin-1-ylmethyl)thiolan-3-ol
CID 84733863
4-(Morpholin-4-ylmethyl)thian-4-ol
CID 84735084
3-(Morpholin-4-ylmethyl)thian-3-ol
CID 84735085
3-(2-Morpholin-4-ylethyl)thiolan-3-ol
CID 84735086
(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
CID 100926884
2-Methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol
CID 106246346
2-Methyl-1-(2-morpholin-4-ylethylsulfanyl)propan-2-ol
CID 109889799

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)thiolan-3-ol?
The IUPAC name of 3-(morpholin-4-ylmethyl)thiolan-3-ol (CID 84733988) is 3-(morpholin-4-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)thiolan-3-ol?
The canonical SMILES for 3-(morpholin-4-ylmethyl)thiolan-3-ol is OC1(CN2CCOCC2)CCSC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)thiolan-3-ol?
The InChIKey is LNHOZLYJRKOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-9(1-6-13-8-9)7-10-2-4-12-5-3-10/h11H,1-8H2.
What are the key properties of 3-(morpholin-4-ylmethyl)thiolan-3-ol?
3-(morpholin-4-ylmethyl)thiolan-3-ol has a molecular weight of 203.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 84733988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).