3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine

C17H21N3O2S — CID 92603225

IUPAC3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C17H21N3O2S/c1-23(21,22)16-7-3-9-19-17(16)15-6-4-10-20(13-15)12-14-5-2-8-18-11-14/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3/t15-/m0/s1
InChIKeyRFRSLNZBQOCMIM-HNNXBMFYSA-N
MW331.44 g/mol
LogP2.26
Rot. Bonds4

About 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine

3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 92603225) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
PubChem CID92603225
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C17H21N3O2S/c1-23(21,22)16-7-3-9-19-17(16)15-6-4-10-20(13-15)12-14-5-2-8-18-11-14/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3/t15-/m0/s1
InChIKeyRFRSLNZBQOCMIM-HNNXBMFYSA-N
XLogP2.26
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 110234375
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 110234267
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 95111353
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine (CID 92603225) is 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine is CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is RFRSLNZBQOCMIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-23(21,22)16-7-3-9-19-17(16)15-6-4-10-20(13-15)12-14-5-2-8-18-11-14/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 331.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 92603225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).