5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C11H15N3O4S — CID 24968961

IUPAC5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESNCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1
InChIInChI=1S/C11H15N3O4S/c12-5-1-2-8-3-4-9(10(15)6-8)14-7-11(16)13-19(14,17)18/h3-4,6,15H,1-2,5,7,12H2,(H,13,16)
InChIKeyVAMZMKAHERCOQK-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.54
Rot. Bonds4

About 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 24968961) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID24968961
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESNCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1
InChIInChI=1S/C11H15N3O4S/c12-5-1-2-8-3-4-9(10(15)6-8)14-7-11(16)13-19(14,17)18/h3-4,6,15H,1-2,5,7,12H2,(H,13,16)
InChIKeyVAMZMKAHERCOQK-UHFFFAOYSA-N
XLogP-0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 24968961) is 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is NCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.
What is the InChIKey of 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is VAMZMKAHERCOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-5-1-2-8-3-4-9(10(15)6-8)14-7-11(16)13-19(14,17)18/h3-4,6,15H,1-2,5,7,12H2,(H,13,16).
What are the key properties of 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 285.32 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminopropyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 24968961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).