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

C10H19NO2S — CID 84735084

IUPAC4-(morpholin-4-ylmethyl)thian-4-ol
SMILESOC1(CN2CCOCC2)CCSCC1
InChIInChI=1S/C10H19NO2S/c12-10(1-7-14-8-2-10)9-11-3-5-13-6-4-11/h12H,1-9H2
InChIKeyAVIORGQGORTXFX-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.58
Rot. Bonds2

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

4-(morpholin-4-ylmethyl)thian-4-ol (PubChem CID 84735084) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)thian-4-ol.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)thian-4-ol
PubChem CID84735084
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-(morpholin-4-ylmethyl)thian-4-ol
SMILESOC1(CN2CCOCC2)CCSCC1
InChIInChI=1S/C10H19NO2S/c12-10(1-7-14-8-2-10)9-11-3-5-13-6-4-11/h12H,1-9H2
InChIKeyAVIORGQGORTXFX-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 4-(morpholin-4-ylmethyl)thian-4-ol?
The IUPAC name of 4-(morpholin-4-ylmethyl)thian-4-ol (CID 84735084) is 4-(morpholin-4-ylmethyl)thian-4-ol.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)thian-4-ol?
The canonical SMILES for 4-(morpholin-4-ylmethyl)thian-4-ol is OC1(CN2CCOCC2)CCSCC1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)thian-4-ol?
The InChIKey is AVIORGQGORTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(1-7-14-8-2-10)9-11-3-5-13-6-4-11/h12H,1-9H2.
What are the key properties of 4-(morpholin-4-ylmethyl)thian-4-ol?
4-(morpholin-4-ylmethyl)thian-4-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 4-(morpholin-4-ylmethyl)thian-4-ol is sourced from PubChem (CID 84735084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).