1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone

C11H14N2O2S — CID 592408

IUPAC1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCOCC1
InChIInChI=1S/C11H14N2O2S/c14-11(13-5-7-15-8-6-13)9-16-10-3-1-2-4-12-10/h1-4H,5-9H2
InChIKeyGMPILRQLAOAGSU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.03
Rot. Bonds3

About 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone

1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone (PubChem CID 592408) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone
PubChem CID592408
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCOCC1
InChIInChI=1S/C11H14N2O2S/c14-11(13-5-7-15-8-6-13)9-16-10-3-1-2-4-12-10/h1-4H,5-9H2
InChIKeyGMPILRQLAOAGSU-UHFFFAOYSA-N
XLogP1.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone (CID 592408) is 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone?
The InChIKey is GMPILRQLAOAGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-11(13-5-7-15-8-6-13)9-16-10-3-1-2-4-12-10/h1-4H,5-9H2.
What are the key properties of 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone?
1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone has a molecular weight of 238.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 592408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).