2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine

C16H25N3O2S — CID 125004087

IUPAC2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
SMILESCc1cccc(C[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C16H25N3O2S/c1-14-6-4-8-16(17-14)12-15-7-5-11-19(13-15)22(20,21)18-9-2-3-10-18/h4,6,8,15H,2-3,5,7,9-13H2,1H3/t15-/m1/s1
InChIKeySWCXZQYRBWLIBS-OAHLLOKOSA-N
MW323.46 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine

2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine (PubChem CID 125004087) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
PubChem CID125004087
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
SMILESCc1cccc(C[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C16H25N3O2S/c1-14-6-4-8-16(17-14)12-15-7-5-11-19(13-15)22(20,21)18-9-2-3-10-18/h4,6,8,15H,2-3,5,7,9-13H2,1H3/t15-/m1/s1
InChIKeySWCXZQYRBWLIBS-OAHLLOKOSA-N
XLogP1.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
2-[[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-6-methylpyridine
CID 125026192
1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 171907754
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
3-(2-methylphenyl)-5-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90642118
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 124995206
2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 125023556
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 125022661
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine?
The IUPAC name of 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine (CID 125004087) is 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine is Cc1cccc(C[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1.
What is the InChIKey of 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine?
The InChIKey is SWCXZQYRBWLIBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-14-6-4-8-16(17-14)12-15-7-5-11-19(13-15)22(20,21)18-9-2-3-10-18/h4,6,8,15H,2-3,5,7,9-13H2,1H3/t15-/m1/s1.
What are the key properties of 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine?
2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine has a molecular weight of 323.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 125004087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).