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

C7H16N2O3S — CID 84780291

IUPAC3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCCN1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-2-8-5-6-9(4-3-7-10)13(8,11)12/h10H,2-7H2,1H3
InChIKeyUZAMQLHDMLHXSO-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.75
Rot. Bonds4

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

3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol (PubChem CID 84780291) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
PubChem CID84780291
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCCN1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-2-8-5-6-9(4-3-7-10)13(8,11)12/h10H,2-7H2,1H3
InChIKeyUZAMQLHDMLHXSO-UHFFFAOYSA-N
XLogP-0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol
CID 84807067
N-(3-hydroxypropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 61040402
3-[[Ethyl(propyl)sulfamoyl]-methylamino]propan-1-ol
CID 65729457
3-[[2-(Dimethylamino)ethyl-propylsulfamoyl]-methylamino]propan-1-ol
CID 65737290
3-[[2-(Dimethylamino)ethyl-methylsulfamoyl]-methylamino]propan-1-ol
CID 65738256
3-[Methyl-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propan-1-ol
CID 65740333
2-[(dimethylamino)methyl]-N-(3-hydroxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 65740479
3-(dimethylamino)-N-(3-hydroxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 65740520
3-(diethylamino)-N-(3-hydroxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 65740523
N-(3-hydroxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 65750741
3-[[Ethyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 65751217
3-[Dimethylsulfamoyl(methyl)amino]propan-1-ol
CID 65751562

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol (CID 84780291) is 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol is CCN1CCN(CCCO)S1(=O)=O.
What is the InChIKey of 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The InChIKey is UZAMQLHDMLHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-8-5-6-9(4-3-7-10)13(8,11)12/h10H,2-7H2,1H3.
What are the key properties of 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol has a molecular weight of 208.28 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 84780291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).