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

C10H19NO2S — CID 84735085

IUPAC3-(morpholin-4-ylmethyl)thian-3-ol
SMILESOC1(CN2CCOCC2)CCCSC1
InChIInChI=1S/C10H19NO2S/c12-10(2-1-7-14-9-10)8-11-3-5-13-6-4-11/h12H,1-9H2
InChIKeyXMTRIJFAKTZLMZ-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.58
Rot. Bonds2

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

3-(morpholin-4-ylmethyl)thian-3-ol (PubChem CID 84735085) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)thian-3-ol.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)thian-3-ol
PubChem CID84735085
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-(morpholin-4-ylmethyl)thian-3-ol
SMILESOC1(CN2CCOCC2)CCCSC1
InChIInChI=1S/C10H19NO2S/c12-10(2-1-7-14-9-10)8-11-3-5-13-6-4-11/h12H,1-9H2
InChIKeyXMTRIJFAKTZLMZ-UHFFFAOYSA-N
XLogP0.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)thian-3-ol?
The IUPAC name of 3-(morpholin-4-ylmethyl)thian-3-ol (CID 84735085) is 3-(morpholin-4-ylmethyl)thian-3-ol.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)thian-3-ol?
The canonical SMILES for 3-(morpholin-4-ylmethyl)thian-3-ol is OC1(CN2CCOCC2)CCCSC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)thian-3-ol?
The InChIKey is XMTRIJFAKTZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(2-1-7-14-9-10)8-11-3-5-13-6-4-11/h12H,1-9H2.
What are the key properties of 3-(morpholin-4-ylmethyl)thian-3-ol?
3-(morpholin-4-ylmethyl)thian-3-ol has a molecular weight of 217.33 g/mol, XLogP of 0.58, 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)thian-3-ol is sourced from PubChem (CID 84735085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).