3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol

C18H19NO4S — CID 154783793

IUPAC3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(CNCc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C18H19NO4S/c20-18(7-8-24(21,22)12-18)11-19-10-13-5-6-17-15(9-13)14-3-1-2-4-16(14)23-17/h1-6,9,19-20H,7-8,10-12H2
InChIKeySVLXLFJGNQSTMH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.23
Rot. Bonds4

About 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol

3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol (PubChem CID 154783793) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol
PubChem CID154783793
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(CNCc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C18H19NO4S/c20-18(7-8-24(21,22)12-18)11-19-10-13-5-6-17-15(9-13)14-3-1-2-4-16(14)23-17/h1-6,9,19-20H,7-8,10-12H2
InChIKeySVLXLFJGNQSTMH-UHFFFAOYSA-N
XLogP2.23
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol (CID 154783793) is 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol is O=S1(=O)CCC(O)(CNCc2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol?
The InChIKey is SVLXLFJGNQSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(7-8-24(21,22)12-18)11-19-10-13-5-6-17-15(9-13)14-3-1-2-4-16(14)23-17/h1-6,9,19-20H,7-8,10-12H2.
What are the key properties of 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol?
3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol has a molecular weight of 345.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibenzofuran-2-ylmethylamino)methyl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 154783793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).