5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile

C11H13N3O3S — CID 103833912

IUPAC5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cn1
InChIInChI=1S/C11H13N3O3S/c12-6-9-3-4-11(7-13-9)18(16,17)14-5-1-2-10(14)8-15/h3-4,7,10,15H,1-2,5,8H2/t10-/m1/s1
InChIKeyNXISUQAAJAFWOF-SNVBAGLBSA-N
MW267.31 g/mol
LogP0.10
Rot. Bonds3

About 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile

5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile (PubChem CID 103833912) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
PubChem CID103833912
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cn1
InChIInChI=1S/C11H13N3O3S/c12-6-9-3-4-11(7-13-9)18(16,17)14-5-1-2-10(14)8-15/h3-4,7,10,15H,1-2,5,8H2/t10-/m1/s1
InChIKeyNXISUQAAJAFWOF-SNVBAGLBSA-N
XLogP0.10
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
[1-[(6-nitro-3-pyridinyl)sulfonyl]azepan-2-yl]methanol
CID 116636739
5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115625427
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile (CID 103833912) is 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cn1.
What is the InChIKey of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The InChIKey is NXISUQAAJAFWOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-6-9-3-4-11(7-13-9)18(16,17)14-5-1-2-10(14)8-15/h3-4,7,10,15H,1-2,5,8H2/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 103833912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).