5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C15H20FN3O3S — CID 170277383

IUPAC5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCN(Cc1ccc(N2CC(=O)NS2(=O)=O)c(F)c1)CC1CCC1
InChIInChI=1S/C15H20FN3O3S/c1-18(8-11-3-2-4-11)9-12-5-6-14(13(16)7-12)19-10-15(20)17-23(19,21)22/h5-7,11H,2-4,8-10H2,1H3,(H,17,20)
InChIKeyVDOKSSVGWUDQJW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.24
Rot. Bonds5

About 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 170277383) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID170277383
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCN(Cc1ccc(N2CC(=O)NS2(=O)=O)c(F)c1)CC1CCC1
InChIInChI=1S/C15H20FN3O3S/c1-18(8-11-3-2-4-11)9-12-5-6-14(13(16)7-12)19-10-15(20)17-23(19,21)22/h5-7,11H,2-4,8-10H2,1H3,(H,17,20)
InChIKeyVDOKSSVGWUDQJW-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 170277383) is 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CN(Cc1ccc(N2CC(=O)NS2(=O)=O)c(F)c1)CC1CCC1.
What is the InChIKey of 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is VDOKSSVGWUDQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-18(8-11-3-2-4-11)9-12-5-6-14(13(16)7-12)19-10-15(20)17-23(19,21)22/h5-7,11H,2-4,8-10H2,1H3,(H,17,20).
What are the key properties of 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 341.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorophenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 170277383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).