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

C5H12N2O3S — CID 84768180

IUPAC3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESO=S1(=O)NCCN1CCCO
InChIInChI=1S/C5H12N2O3S/c8-5-1-3-7-4-2-6-11(7,9)10/h6,8H,1-5H2
InChIKeyUDBQGYDFOHSKCW-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.48
Rot. Bonds3

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

3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol (PubChem CID 84768180) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
PubChem CID84768180
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESO=S1(=O)NCCN1CCCO
InChIInChI=1S/C5H12N2O3S/c8-5-1-3-7-4-2-6-11(7,9)10/h6,8H,1-5H2
InChIKeyUDBQGYDFOHSKCW-UHFFFAOYSA-N
XLogP-1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxo-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

Related Compounds

N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43502086
N-(3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 43501574
3-(3-Hydroxypropylamino)pyrrolidine-1-sulfonamide
CID 84055915
2-(2-Hydroxyethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84765081
3-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84773180
3-(5-Ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84780291
1-[2-[[3-Hydroxypropyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 105970924
1-[2-[[3-Hydroxypropyl(methyl)sulfamoyl]amino]propyl]pyrrolidine
CID 105976433
1-[1-[[3-Hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine
CID 114135268
2-(3-Methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117002966
(2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol
CID 130607845
[3-[(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol
CID 130646734

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol (CID 84768180) is 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol is O=S1(=O)NCCN1CCCO.
What is the InChIKey of 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The InChIKey is UDBQGYDFOHSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c8-5-1-3-7-4-2-6-11(7,9)10/h6,8H,1-5H2.
What are the key properties of 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol has a molecular weight of 180.23 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 84768180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).