(1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

C18H24FNO3S — CID 70776234

IUPAC(1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FNO3S/c19-17-3-1-14(2-4-17)13-15-5-9-20(10-6-15)18(21)16-7-11-24(22,23)12-8-16/h1-4,15-16H,5-13H2
InChIKeyLKRDRANXDPGKEK-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.43
Rot. Bonds3

About (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

(1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 70776234) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID70776234
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC Name(1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FNO3S/c19-17-3-1-14(2-4-17)13-15-5-9-20(10-6-15)18(21)16-7-11-24(22,23)12-8-16/h1-4,15-16H,5-13H2
InChIKeyLKRDRANXDPGKEK-UHFFFAOYSA-N
XLogP2.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 70776234) is (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is O=C(C1CCS(=O)(=O)CC1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is LKRDRANXDPGKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3S/c19-17-3-1-14(2-4-17)13-15-5-9-20(10-6-15)18(21)16-7-11-24(22,23)12-8-16/h1-4,15-16H,5-13H2.
What are the key properties of (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
(1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 353.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70776234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).