N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide

C18H25FN2O5S2 — CID 91903805

IUPACN-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)c2ccccc2F)CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H25FN2O5S2/c19-16-3-1-2-4-17(16)28(25,26)21-10-7-14(8-11-21)5-6-18(22)20-15-9-12-27(23,24)13-15/h1-4,14-15H,5-13H2,(H,20,22)
InChIKeyRVDYKNFWEPNFSP-UHFFFAOYSA-N
MW432.54 g/mol
LogP1.31
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide

N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 91903805) has the molecular formula C18H25FN2O5S2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID91903805
Molecular FormulaC18H25FN2O5S2
Molecular Weight432.54 g/mol
Exact Mass432.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)c2ccccc2F)CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H25FN2O5S2/c19-16-3-1-2-4-17(16)28(25,26)21-10-7-14(8-11-21)5-6-18(22)20-15-9-12-27(23,24)13-15/h1-4,14-15H,5-13H2,(H,20,22)
InChIKeyRVDYKNFWEPNFSP-UHFFFAOYSA-N
XLogP1.31
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide (CID 91903805) is N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide is O=C(CCC1CCN(S(=O)(=O)c2ccccc2F)CC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is RVDYKNFWEPNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O5S2/c19-16-3-1-2-4-17(16)28(25,26)21-10-7-14(8-11-21)5-6-18(22)20-15-9-12-27(23,24)13-15/h1-4,14-15H,5-13H2,(H,20,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 432.54 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 91903805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).