3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol

C8H18N2O3S — CID 84788741

IUPAC3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCCCN1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-2-4-9-6-7-10(5-3-8-11)14(9,12)13/h11H,2-8H2,1H3
InChIKeyJOEUZYVDQZRYQO-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.36
Rot. Bonds5

About 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol

3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol (PubChem CID 84788741) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
PubChem CID84788741
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCCCN1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-2-4-9-6-7-10(5-3-8-11)14(9,12)13/h11H,2-8H2,1H3
InChIKeyJOEUZYVDQZRYQO-UHFFFAOYSA-N
XLogP-0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol (CID 84788741) is 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol is CCCN1CCN(CCCO)S1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The InChIKey is JOEUZYVDQZRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-4-9-6-7-10(5-3-8-11)14(9,12)13/h11H,2-8H2,1H3.
What are the key properties of 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol has a molecular weight of 222.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 84788741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).