5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile

C11H13N3O2S2 — CID 113239652

IUPAC5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CSCCN1S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O2S2/c1-9-8-17-5-4-14(9)18(15,16)11-3-2-10(6-12)13-7-11/h2-3,7,9H,4-5,8H2,1H3
InChIKeyOYTURNJRNCEUBC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.08
Rot. Bonds2

About 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile

5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 113239652) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile
PubChem CID113239652
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CSCCN1S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O2S2/c1-9-8-17-5-4-14(9)18(15,16)11-3-2-10(6-12)13-7-11/h2-3,7,9H,4-5,8H2,1H3
InChIKeyOYTURNJRNCEUBC-UHFFFAOYSA-N
XLogP1.08
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
2-chloro-4-(3-methylthiomorpholin-4-yl)sulfonylbenzonitrile
CID 112692419
5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115625427
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115487759
3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 64600747
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103698000
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile (CID 113239652) is 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile is CC1CSCCN1S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is OYTURNJRNCEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-9-8-17-5-4-14(9)18(15,16)11-3-2-10(6-12)13-7-11/h2-3,7,9H,4-5,8H2,1H3.
What are the key properties of 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 113239652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).