5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile

C12H15N3O2S2 — CID 115487759

IUPAC5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(C#N)nc1
InChIInChI=1S/C12H15N3O2S2/c1-2-19(16,17)12-9-18-6-5-15(12)11-4-3-10(7-13)14-8-11/h3-4,8,12H,2,5-6,9H2,1H3
InChIKeyUDZYSYQCVSLLLV-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds3

About 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile

5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile (PubChem CID 115487759) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile
PubChem CID115487759
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(C#N)nc1
InChIInChI=1S/C12H15N3O2S2/c1-2-19(16,17)12-9-18-6-5-15(12)11-4-3-10(7-13)14-8-11/h3-4,8,12H,2,5-6,9H2,1H3
InChIKeyUDZYSYQCVSLLLV-UHFFFAOYSA-N
XLogP1.27
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile (CID 115487759) is 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile is CCS(=O)(=O)C1CSCCN1c1ccc(C#N)nc1.
What is the InChIKey of 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile?
The InChIKey is UDZYSYQCVSLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-2-19(16,17)12-9-18-6-5-15(12)11-4-3-10(7-13)14-8-11/h3-4,8,12H,2,5-6,9H2,1H3.
What are the key properties of 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile?
5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile has a molecular weight of 297.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115487759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).