(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C10H11FN2O3S — CID 14934012

IUPAC(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1[C@H](Cc2ccccc2)NS(=O)(=O)N1CF
InChIInChI=1S/C10H11FN2O3S/c11-7-13-10(14)9(12-17(13,15)16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m0/s1
InChIKeyRDPJSXIGTYEMGP-VIFPVBQESA-N
MW258.27 g/mol
LogP0.20
Rot. Bonds3

About (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 14934012) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID14934012
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1[C@H](Cc2ccccc2)NS(=O)(=O)N1CF
InChIInChI=1S/C10H11FN2O3S/c11-7-13-10(14)9(12-17(13,15)16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m0/s1
InChIKeyRDPJSXIGTYEMGP-VIFPVBQESA-N
XLogP0.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 14934012) is (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1[C@H](Cc2ccccc2)NS(=O)(=O)N1CF.
What is the InChIKey of (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is RDPJSXIGTYEMGP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-7-13-10(14)9(12-17(13,15)16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 258.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 14934012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).