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

C5H13N3O3S — CID 130607845

IUPAC(2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol
SMILESNC[C@@H](O)CN1CCNS1(=O)=O
InChIInChI=1S/C5H13N3O3S/c6-3-5(9)4-8-2-1-7-12(8,10)11/h5,7,9H,1-4,6H2/t5-/m1/s1
InChIKeyOPHQNWABXLAXSF-RXMQYKEDSA-N
MW195.24 g/mol
LogP-2.54
Rot. Bonds3

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

(2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol (PubChem CID 130607845) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol
PubChem CID130607845
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC Name(2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol
SMILESNC[C@@H](O)CN1CCNS1(=O)=O
InChIInChI=1S/C5H13N3O3S/c6-3-5(9)4-8-2-1-7-12(8,10)11/h5,7,9H,1-4,6H2/t5-/m1/s1
InChIKeyOPHQNWABXLAXSF-RXMQYKEDSA-N
XLogP-2.54
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-2.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 165751290
N-(2-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 43502415
N-[(2R)-2-hydroxypropyl]pyrrolidine-1-sulfonamide
CID 83029806
N-[(2S)-2-hydroxypropyl]pyrrolidine-1-sulfonamide
CID 83029999
3-(2-Hydroxyethylamino)pyrrolidine-1-sulfonamide
CID 84053506
2-(2-Hydroxyethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84765081
3-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84768180
(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 103834133
(3R)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 103834697
1-[2-(Dimethylsulfamoylamino)ethylamino]-2-hydroxypropane
CID 104593934
N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide
CID 104594051
(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine
CID 104978120

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol (CID 130607845) is (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol is NC[C@@H](O)CN1CCNS1(=O)=O.
What is the InChIKey of (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol?
The InChIKey is OPHQNWABXLAXSF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13N3O3S/c6-3-5(9)4-8-2-1-7-12(8,10)11/h5,7,9H,1-4,6H2/t5-/m1/s1.
What are the key properties of (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol?
(2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol has a molecular weight of 195.24 g/mol, XLogP of -2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-2-ol is sourced from PubChem (CID 130607845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).