2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile

C12H16N4O2S — CID 97165435

IUPAC2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(S(=O)(=O)N2CCCC[C@@H]2CN)c1
InChIInChI=1S/C12H16N4O2S/c13-8-10-4-5-15-12(7-10)19(17,18)16-6-2-1-3-11(16)9-14/h4-5,7,11H,1-3,6,9,14H2/t11-/m1/s1
InChIKeyPTGMVMNJNKAZEY-LLVKDONJSA-N
MW280.35 g/mol
LogP0.46
Rot. Bonds3

About 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile

2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile (PubChem CID 97165435) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile
PubChem CID97165435
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(S(=O)(=O)N2CCCC[C@@H]2CN)c1
InChIInChI=1S/C12H16N4O2S/c13-8-10-4-5-15-12(7-10)19(17,18)16-6-2-1-3-11(16)9-14/h4-5,7,11H,1-3,6,9,14H2/t11-/m1/s1
InChIKeyPTGMVMNJNKAZEY-LLVKDONJSA-N
XLogP0.46
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638895
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 96683436
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 71644679
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 119969568
3-[[2-(aminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115312346
[1-(furan-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 120874730
4-chloro-3-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 104689863
4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103833725

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile?
The IUPAC name of 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile (CID 97165435) is 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile is N#Cc1ccnc(S(=O)(=O)N2CCCC[C@@H]2CN)c1.
What is the InChIKey of 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile?
The InChIKey is PTGMVMNJNKAZEY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-8-10-4-5-15-12(7-10)19(17,18)16-6-2-1-3-11(16)9-14/h4-5,7,11H,1-3,6,9,14H2/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile?
2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile has a molecular weight of 280.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile is sourced from PubChem (CID 97165435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).