6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile

C12H15N3O2S2 — CID 66377758

IUPAC6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2S2/c1-2-19(16,17)12-9-18-6-5-15(12)11-4-3-10(7-13)8-14-11/h3-4,8,12H,2,5-6,9H2,1H3
InChIKeyZUGHDZREJLKXOP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds3

About 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile

6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 66377758) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID66377758
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2S2/c1-2-19(16,17)12-9-18-6-5-15(12)11-4-3-10(7-13)8-14-11/h3-4,8,12H,2,5-6,9H2,1H3
InChIKeyZUGHDZREJLKXOP-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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Related Compounds

4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115487759
2-[4-(5-cyano-2-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 66443525
2-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylbenzonitrile
CID 107927610
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 66377729
[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
CID 66376741
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80833716
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626
1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634904
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile (CID 66377758) is 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile is CCS(=O)(=O)C1CSCCN1c1ccc(C#N)cn1.
What is the InChIKey of 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is ZUGHDZREJLKXOP-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)8-14-11/h3-4,8,12H,2,5-6,9H2,1H3.
What are the key properties of 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile?
6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-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 6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 66377758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).