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

C6H14N2O3S — CID 84773180

IUPAC3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCN1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-7-4-5-8(3-2-6-9)12(7,10)11/h9H,2-6H2,1H3
InChIKeyWSVVRAQWWCVTHB-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.14
Rot. Bonds3

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

3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol (PubChem CID 84773180) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
PubChem CID84773180
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCN1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-7-4-5-8(3-2-6-9)12(7,10)11/h9H,2-6H2,1H3
InChIKeyWSVVRAQWWCVTHB-UHFFFAOYSA-N
XLogP-1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.14
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
1,2,5-Thiadiazolidine-2-ethanol, 5-methyl-, 1,1-dioxide
CID 20806234
3-[[2-(Dimethylamino)ethyl-propylsulfamoyl]-methylamino]propan-1-ol
CID 65737290
3-[Methyl-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propan-1-ol
CID 65740333
N-(3-hydroxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 65750741
3-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84768180
2-(5-Ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
CID 84773179
3-(5-Ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84780291
2-(1,1-Dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol
CID 84780293
3-(1,1-Dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84788738
3-(1,1-Dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84788741
1-[Ethyl(sulfamoyl)amino]-3-hydroxypropane
CID 115665301

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol (CID 84773180) is 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol is CN1CCN(CCCO)S1(=O)=O.
What is the InChIKey of 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The InChIKey is WSVVRAQWWCVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-7-4-5-8(3-2-6-9)12(7,10)11/h9H,2-6H2,1H3.
What are the key properties of 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol has a molecular weight of 194.26 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 84773180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).