(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C19H24FN3O2S — CID 95809657

IUPAC(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C19H24FN3O2S/c1-22(2)26(24,25)23-11-5-7-16(14-23)19-10-4-9-18(21-19)13-15-6-3-8-17(20)12-15/h3-4,6,8-10,12,16H,5,7,11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyOXSFPTRVTMDSPV-MRXNPFEDSA-N
MW377.49 g/mol
LogP2.80
Rot. Bonds5

About (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95809657) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95809657
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C19H24FN3O2S/c1-22(2)26(24,25)23-11-5-7-16(14-23)19-10-4-9-18(21-19)13-15-6-3-8-17(20)12-15/h3-4,6,8-10,12,16H,5,7,11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyOXSFPTRVTMDSPV-MRXNPFEDSA-N
XLogP2.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810775
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110250016
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 45174478
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95809871

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95809657) is (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1.
What is the InChIKey of (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is OXSFPTRVTMDSPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-22(2)26(24,25)23-11-5-7-16(14-23)19-10-4-9-18(21-19)13-15-6-3-8-17(20)12-15/h3-4,6,8-10,12,16H,5,7,11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).