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

C12H15N3O3S — CID 114613814

IUPAC5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCC2CO)cn1
InChIInChI=1S/C12H15N3O3S/c13-7-10-4-5-12(8-14-10)19(17,18)15-6-2-1-3-11(15)9-16/h4-5,8,11,16H,1-3,6,9H2
InChIKeySEIHKTZIMBCOMZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.49
Rot. Bonds3

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

5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile (PubChem CID 114613814) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
PubChem CID114613814
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCC2CO)cn1
InChIInChI=1S/C12H15N3O3S/c13-7-10-4-5-12(8-14-10)19(17,18)15-6-2-1-3-11(15)9-16/h4-5,8,11,16H,1-3,6,9H2
InChIKeySEIHKTZIMBCOMZ-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
[1-[(6-nitro-3-pyridinyl)sulfonyl]azepan-2-yl]methanol
CID 116636739
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115625427

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile (CID 114613814) is 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCCCC2CO)cn1.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The InChIKey is SEIHKTZIMBCOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-7-10-4-5-12(8-14-10)19(17,18)15-6-2-1-3-11(15)9-16/h4-5,8,11,16H,1-3,6,9H2.
What are the key properties of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 114613814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).