3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine

C18H27FN2O2S — CID 47811921

IUPAC3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCCC(N3C(C)CCC3C)C2)c1
InChIInChI=1S/C18H27FN2O2S/c1-13-6-9-17(19)18(11-13)24(22,23)20-10-4-5-16(12-20)21-14(2)7-8-15(21)3/h6,9,11,14-16H,4-5,7-8,10,12H2,1-3H3
InChIKeyVCGDEMGGMWFPLO-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.16
Rot. Bonds3

About 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine

3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine (PubChem CID 47811921) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine
PubChem CID47811921
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCCC(N3C(C)CCC3C)C2)c1
InChIInChI=1S/C18H27FN2O2S/c1-13-6-9-17(19)18(11-13)24(22,23)20-10-4-5-16(12-20)21-14(2)7-8-15(21)3/h6,9,11,14-16H,4-5,7-8,10,12H2,1-3H3
InChIKeyVCGDEMGGMWFPLO-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
(3R,8aS)-2-(2-fluoro-5-methylphenyl)sulfonyl-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137340027
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017
(4aS,8aS)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482096
(4aS,8aR)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482098
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine
CID 95354106
3-(2,5-dimethylpyrrolidin-1-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 75526438
(3S)-3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-1-(2-methoxy-4-nitrophenyl)sulfonylpiperidine
CID 98727455
1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 62673310

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine (CID 47811921) is 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine is Cc1ccc(F)c(S(=O)(=O)N2CCCC(N3C(C)CCC3C)C2)c1.
What is the InChIKey of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine?
The InChIKey is VCGDEMGGMWFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-13-6-9-17(19)18(11-13)24(22,23)20-10-4-5-16(12-20)21-14(2)7-8-15(21)3/h6,9,11,14-16H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine?
3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine has a molecular weight of 354.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 47811921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).