5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile

C12H15N3O3S — CID 103990794

IUPAC5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H15N3O3S/c1-9(16)10-4-5-15(8-10)19(17,18)12-3-2-11(6-13)14-7-12/h2-3,7,9-10,16H,4-5,8H2,1H3
InChIKeyIVWYLFIOXKWBFL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.34
Rot. Bonds3

About 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile

5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile (PubChem CID 103990794) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
PubChem CID103990794
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H15N3O3S/c1-9(16)10-4-5-15(8-10)19(17,18)12-3-2-11(6-13)14-7-12/h2-3,7,9-10,16H,4-5,8H2,1H3
InChIKeyIVWYLFIOXKWBFL-UHFFFAOYSA-N
XLogP0.34
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(6-cyano-3-pyridinyl)sulfonyl]azetidin-3-yl]propanoic acid
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5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
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1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
CID 115966968
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile (CID 103990794) is 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile is CC(O)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The InChIKey is IVWYLFIOXKWBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(16)10-4-5-15(8-10)19(17,18)12-3-2-11(6-13)14-7-12/h2-3,7,9-10,16H,4-5,8H2,1H3.
What are the key properties of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 103990794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).