2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C8H16N2O4S — CID 79887210

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCNCC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-8(2)7(12)10(15(8,13)14)5-6(11)4-9-3/h6,9,11H,4-5H2,1-3H3
InChIKeyUABCITCPORQUMI-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.48
Rot. Bonds4

About 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79887210) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79887210
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCNCC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-8(2)7(12)10(15(8,13)14)5-6(11)4-9-3/h6,9,11H,4-5H2,1-3H3
InChIKeyUABCITCPORQUMI-UHFFFAOYSA-N
XLogP-1.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one 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-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide
CID 59132033
3-[3-Acetamidopropyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate
CID 59422914
(2-Hydroxy-3-sulfopropyl)-dimethyl-[3-(2-methylpropanoylamino)propyl]azanium
CID 118041369
3-[Dimethyl-[3-(propanoylamino)propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
CID 155644151
N-(2-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 64018139
4,4-Dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one
CID 79886071
2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 79886254
2-[4-(2-Methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886435
2-(2-Amino-3-hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886843
2-[3-(Cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887030
2-[3-(Ethylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887031
2-(3-Amino-2-ethoxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887117

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79887210) is 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CNCC(O)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is UABCITCPORQUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-8(2)7(12)10(15(8,13)14)5-6(11)4-9-3/h6,9,11H,4-5H2,1-3H3.
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 236.29 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79887210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).