(1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

C18H25FN2O3S — CID 51121675

IUPAC(1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCCC2c2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O3S/c1-2-25(23,24)20-11-8-14(9-12-20)18(22)21-10-4-7-17(21)15-5-3-6-16(19)13-15/h3,5-6,13-14,17H,2,4,7-12H2,1H3
InChIKeyQTTHRDSJAMVZNM-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.55
Rot. Bonds4

About (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

(1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 51121675) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID51121675
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCCC2c2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O3S/c1-2-25(23,24)20-11-8-14(9-12-20)18(22)21-10-4-7-17(21)15-5-3-6-16(19)13-15/h3,5-6,13-14,17H,2,4,7-12H2,1H3
InChIKeyQTTHRDSJAMVZNM-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 51121675) is (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCCC2c2cccc(F)c2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is QTTHRDSJAMVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-2-25(23,24)20-11-8-14(9-12-20)18(22)21-10-4-7-17(21)15-5-3-6-16(19)13-15/h3,5-6,13-14,17H,2,4,7-12H2,1H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
(1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51121675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).