5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile

C10H11N3O2S2 — CID 115602649

IUPAC5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCSCC2)cn1
InChIInChI=1S/C10H11N3O2S2/c11-7-9-1-2-10(8-12-9)17(14,15)13-3-5-16-6-4-13/h1-2,8H,3-6H2
InChIKeyOIEMKRWCDDQKHW-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.69
Rot. Bonds2

About 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile

5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile (PubChem CID 115602649) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
PubChem CID115602649
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCSCC2)cn1
InChIInChI=1S/C10H11N3O2S2/c11-7-9-1-2-10(8-12-9)17(14,15)13-3-5-16-6-4-13/h1-2,8H,3-6H2
InChIKeyOIEMKRWCDDQKHW-UHFFFAOYSA-N
XLogP0.69
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 113239652
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
CID 43456484
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyridine-2-carbonitrile
CID 115682004
5-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115870405
5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352615

Frequently Asked Questions

What is the IUPAC name of 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile (CID 115602649) is 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCSCC2)cn1.
What is the InChIKey of 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile?
The InChIKey is OIEMKRWCDDQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c11-7-9-1-2-10(8-12-9)17(14,15)13-3-5-16-6-4-13/h1-2,8H,3-6H2.
What are the key properties of 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile?
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 115602649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).