4-(pyridin-2-ylmethyl)thiomorpholine

C10H14N2S — CID 782566

IUPAC4-(pyridin-2-ylmethyl)thiomorpholine
SMILESc1ccc(CN2CCSCC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12/h1-4H,5-9H2
InChIKeyXDBTZKGSODUZAM-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.63
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)thiomorpholine

4-(pyridin-2-ylmethyl)thiomorpholine (PubChem CID 782566) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)thiomorpholine
PubChem CID782566
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-(pyridin-2-ylmethyl)thiomorpholine
SMILESc1ccc(CN2CCSCC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12/h1-4H,5-9H2
InChIKeyXDBTZKGSODUZAM-UHFFFAOYSA-N
XLogP1.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)thiomorpholine?
The IUPAC name of 4-(pyridin-2-ylmethyl)thiomorpholine (CID 782566) is 4-(pyridin-2-ylmethyl)thiomorpholine.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)thiomorpholine?
The canonical SMILES for 4-(pyridin-2-ylmethyl)thiomorpholine is c1ccc(CN2CCSCC2)nc1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)thiomorpholine?
The InChIKey is XDBTZKGSODUZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12/h1-4H,5-9H2.
What are the key properties of 4-(pyridin-2-ylmethyl)thiomorpholine?
4-(pyridin-2-ylmethyl)thiomorpholine has a molecular weight of 194.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)thiomorpholine is sourced from PubChem (CID 782566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).