4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine

C17H22N4O2S — CID 110256844

IUPAC4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCS(=O)(=O)N1CCCC(Cc2ccnc(Nc3ccccn3)c2)C1
InChIInChI=1S/C17H22N4O2S/c1-24(22,23)21-10-4-5-15(13-21)11-14-7-9-19-17(12-14)20-16-6-2-3-8-18-16/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,18,19,20)
InChIKeyDKHYIPLICOCAEA-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.43
Rot. Bonds5

About 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine

4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 110256844) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID110256844
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCS(=O)(=O)N1CCCC(Cc2ccnc(Nc3ccccn3)c2)C1
InChIInChI=1S/C17H22N4O2S/c1-24(22,23)21-10-4-5-15(13-21)11-14-7-9-19-17(12-14)20-16-6-2-3-8-18-16/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,18,19,20)
InChIKeyDKHYIPLICOCAEA-UHFFFAOYSA-N
XLogP2.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110257313
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
CID 95838129
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
CID 110257699
4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 110257678
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine (CID 110256844) is 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine is CS(=O)(=O)N1CCCC(Cc2ccnc(Nc3ccccn3)c2)C1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is DKHYIPLICOCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-24(22,23)21-10-4-5-15(13-21)11-14-7-9-19-17(12-14)20-16-6-2-3-8-18-16/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,18,19,20).
What are the key properties of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine?
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 110256844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).