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

C17H20ClN3O2S — CID 92603087

IUPAC5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H20ClN3O2S/c1-24(22,23)16-9-14(18)10-20-17(16)13-5-4-8-21(11-13)12-15-6-2-3-7-19-15/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-/m0/s1
InChIKeyLODNRJNLBIJELU-ZDUSSCGKSA-N
MW365.89 g/mol
LogP2.91
Rot. Bonds4

About 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine

5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 92603087) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
PubChem CID92603087
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H20ClN3O2S/c1-24(22,23)16-9-14(18)10-20-17(16)13-5-4-8-21(11-13)12-15-6-2-3-7-19-15/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-/m0/s1
InChIKeyLODNRJNLBIJELU-ZDUSSCGKSA-N
XLogP2.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.91
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
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
CID 110237132
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 110245365
5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
CID 124783682
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124973199
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine (CID 92603087) is 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine is CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is LODNRJNLBIJELU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-24(22,23)16-9-14(18)10-20-17(16)13-5-4-8-21(11-13)12-15-6-2-3-7-19-15/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 365.89 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 92603087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).