1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine

C15H21FN2O2S — CID 134022396

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2S/c16-14-8-6-13(7-9-14)15-5-4-12-18(15)21(19,20)17-10-2-1-3-11-17/h6-9,15H,1-5,10-12H2
InChIKeyCTORCONOQYBQCI-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine (PubChem CID 134022396) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
PubChem CID134022396
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2S/c16-14-8-6-13(7-9-14)15-5-4-12-18(15)21(19,20)17-10-2-1-3-11-17/h6-9,15H,1-5,10-12H2
InChIKeyCTORCONOQYBQCI-UHFFFAOYSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane
CID 31110887
1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
CID 95724807
(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
CID 95724978
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 51611902
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine (CID 134022396) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine is O=S(=O)(N1CCCCC1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine?
The InChIKey is CTORCONOQYBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-14-8-6-13(7-9-14)15-5-4-12-18(15)21(19,20)17-10-2-1-3-11-17/h6-9,15H,1-5,10-12H2.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine has a molecular weight of 312.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine is sourced from PubChem (CID 134022396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).