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

C17H20ClN3O2S — CID 110234375

IUPAC5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C17H20ClN3O2S/c1-24(22,23)16-8-15(18)10-20-17(16)14-5-3-7-21(12-14)11-13-4-2-6-19-9-13/h2,4,6,8-10,14H,3,5,7,11-12H2,1H3
InChIKeyQFMBNRPEEJWFJV-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.91
Rot. Bonds4

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

5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 110234375) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
PubChem CID110234375
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C17H20ClN3O2S/c1-24(22,23)16-8-15(18)10-20-17(16)14-5-3-7-21(12-14)11-13-4-2-6-19-9-13/h2,4,6,8-10,14H,3,5,7,11-12H2,1H3
InChIKeyQFMBNRPEEJWFJV-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 110245365
[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
CID 110234282
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine (CID 110234375) is 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine is CS(=O)(=O)c1cc(Cl)cnc1C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is QFMBNRPEEJWFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-24(22,23)16-8-15(18)10-20-17(16)14-5-3-7-21(12-14)11-13-4-2-6-19-9-13/h2,4,6,8-10,14H,3,5,7,11-12H2,1H3.
What are the key properties of 5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine?
5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-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-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 110234375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).