3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine

C15H20N4O2S — CID 6927843

IUPAC3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
SMILESCc1nc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cn1C
InChIInChI=1S/C15H20N4O2S/c1-12-17-15(11-18(12)2)22(20,21)19-9-4-3-7-14(19)13-6-5-8-16-10-13/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3/t14-/m1/s1
InChIKeyZNQPQOLKDPHCTH-CQSZACIVSA-N
MW320.42 g/mol
LogP2.04
Rot. Bonds3

About 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine

3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine (PubChem CID 6927843) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
PubChem CID6927843
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
SMILESCc1nc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cn1C
InChIInChI=1S/C15H20N4O2S/c1-12-17-15(11-18(12)2)22(20,21)19-9-4-3-7-14(19)13-6-5-8-16-10-13/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3/t14-/m1/s1
InChIKeyZNQPQOLKDPHCTH-CQSZACIVSA-N
XLogP2.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86873711
copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
CID 158251825
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine (CID 6927843) is 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine is Cc1nc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cn1C.
What is the InChIKey of 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine?
The InChIKey is ZNQPQOLKDPHCTH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-12-17-15(11-18(12)2)22(20,21)19-9-4-3-7-14(19)13-6-5-8-16-10-13/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine?
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine has a molecular weight of 320.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine is sourced from PubChem (CID 6927843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).