3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine

C15H22F2N2O3S — CID 164635680

IUPAC3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine
SMILESCCCS(=O)(=O)N1CCC(F)(F)[C@@H](COCc2cccnc2)C1
InChIInChI=1S/C15H22F2N2O3S/c1-2-8-23(20,21)19-7-5-15(16,17)14(10-19)12-22-11-13-4-3-6-18-9-13/h3-4,6,9,14H,2,5,7-8,10-12H2,1H3/t14-/m1/s1
InChIKeyZSWAUNGCQPLRII-CQSZACIVSA-N
MW348.42 g/mol
LogP2.30
Rot. Bonds7

About 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine

3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine (PubChem CID 164635680) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine
PubChem CID164635680
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine
SMILESCCCS(=O)(=O)N1CCC(F)(F)[C@@H](COCc2cccnc2)C1
InChIInChI=1S/C15H22F2N2O3S/c1-2-8-23(20,21)19-7-5-15(16,17)14(10-19)12-22-11-13-4-3-6-18-9-13/h3-4,6,9,14H,2,5,7-8,10-12H2,1H3/t14-/m1/s1
InChIKeyZSWAUNGCQPLRII-CQSZACIVSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine with MolForge

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide
CID 56789884
2-((1-(Methylsulfonyl)piperidin-4-yl)oxy)-5-(trifluoromethyl)pyridine
CID 71798789
2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381927
2-ethylsulfonyl-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381994
5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 97463729
2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine
CID 97463758
5-Methyl-3-(trifluoromethylsulfonyl)-2-[1-(trifluoromethylsulfonyl)pyridin-1-ium-3-yl]-4,5-dihydro-1,3-oxazol-3-ium
CID 134843183
N-[(2-ethoxy-3-pyridyl)methyl]-N-methyl-1-cyclopropanesulfonamide
CID 53184968
N-[(2-Ethoxypyridin-3-YL)methyl]-N-methylbutane-1-sulfonamide
CID 53184970
N-[(2-methoxy-3-pyridyl)methyl]-N-methyl-1-ethanesulfonamide
CID 53185041
1-(Ethanesulfonyl)-4-[(6-methoxypyridin-3-YL)methyl]piperazine
CID 53185152
1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide
CID 86779183

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine?
The IUPAC name of 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine (CID 164635680) is 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine.
What is the SMILES notation for 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine?
The canonical SMILES for 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine is CCCS(=O)(=O)N1CCC(F)(F)[C@@H](COCc2cccnc2)C1.
What is the InChIKey of 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine?
The InChIKey is ZSWAUNGCQPLRII-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-2-8-23(20,21)19-7-5-15(16,17)14(10-19)12-22-11-13-4-3-6-18-9-13/h3-4,6,9,14H,2,5,7-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine?
3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine has a molecular weight of 348.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-4,4-difluoro-1-propylsulfonylpiperidin-3-yl]methoxymethyl]pyridine is sourced from PubChem (CID 164635680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).