1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine

C15H21FN2O2S — CID 63169006

IUPAC1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-13-4-6-15(7-5-13)21(19,20)18-11-8-14(12-18)17-9-2-1-3-10-17/h4-7,14H,1-3,8-12H2
InChIKeyCACIAJYTFTZGPI-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.07
Rot. Bonds3

About 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine

1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine (PubChem CID 63169006) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
PubChem CID63169006
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-13-4-6-15(7-5-13)21(19,20)18-11-8-14(12-18)17-9-2-1-3-10-17/h4-7,14H,1-3,8-12H2
InChIKeyCACIAJYTFTZGPI-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63174821
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 98137723
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
2-bromo-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115329305
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
(8aR)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 141356406

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine (CID 63169006) is 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine is O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine?
The InChIKey is CACIAJYTFTZGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-4-6-15(7-5-13)21(19,20)18-11-8-14(12-18)17-9-2-1-3-10-17/h4-7,14H,1-3,8-12H2.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine?
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine has a molecular weight of 312.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine is sourced from PubChem (CID 63169006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).