(1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone

C17H20FNO3S — CID 56816036

IUPAC(1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC(=Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H20FNO3S/c18-16-3-1-2-14(11-16)10-13-4-7-19(8-5-13)17(20)15-6-9-23(21,22)12-15/h1-3,10-11,15H,4-9,12H2
InChIKeySNSJDURLKUIRRQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.27
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone

(1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone (PubChem CID 56816036) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
PubChem CID56816036
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name(1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC(=Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H20FNO3S/c18-16-3-1-2-14(11-16)10-13-4-7-19(8-5-13)17(20)15-6-9-23(21,22)12-15/h1-3,10-11,15H,4-9,12H2
InChIKeySNSJDURLKUIRRQ-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone (CID 56816036) is (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone is O=C(C1CCS(=O)(=O)C1)N1CCC(=Cc2cccc(F)c2)CC1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
The InChIKey is SNSJDURLKUIRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c18-16-3-1-2-14(11-16)10-13-4-7-19(8-5-13)17(20)15-6-9-23(21,22)12-15/h1-3,10-11,15H,4-9,12H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
(1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone is sourced from PubChem (CID 56816036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).