1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

C18H27FN2O2S — CID 53361019

IUPAC1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-8-12-20(13-9-15)14-10-17-3-2-11-21(17)24(22,23)18-6-4-16(19)5-7-18/h4-7,15,17H,2-3,8-14H2,1H3/t17-/m1/s1
InChIKeyNDJDDJXIOFVXRI-QGZVFWFLSA-N
MW354.49 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (PubChem CID 53361019) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
PubChem CID53361019
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-8-12-20(13-9-15)14-10-17-3-2-11-21(17)24(22,23)18-6-4-16(19)5-7-18/h4-7,15,17H,2-3,8-14H2,1H3/t17-/m1/s1
InChIKeyNDJDDJXIOFVXRI-QGZVFWFLSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
CID 75001014
1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 10499156
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
N'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512
1-[2-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11853608
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide
CID 16822634
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
1-tert-butyl-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280389
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
CID 130288052

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (CID 53361019) is 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The InChIKey is NDJDDJXIOFVXRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-15-8-12-20(13-9-15)14-10-17-3-2-11-21(17)24(22,23)18-6-4-16(19)5-7-18/h4-7,15,17H,2-3,8-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine has a molecular weight of 354.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is sourced from PubChem (CID 53361019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).