1-(3-amino-1,1-dioxothiolan-2-yl)ethanol

C6H13NO3S — CID 66858921

IUPAC1-(3-amino-1,1-dioxothiolan-2-yl)ethanol
SMILESCC(O)C1C(N)CCS1(=O)=O
InChIInChI=1S/C6H13NO3S/c1-4(8)6-5(7)2-3-11(6,9)10/h4-6,8H,2-3,7H2,1H3
InChIKeyWGSOBGIHOSTESU-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.12
Rot. Bonds1

About 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol

1-(3-amino-1,1-dioxothiolan-2-yl)ethanol (PubChem CID 66858921) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-amino-1,1-dioxothiolan-2-yl)ethanol
PubChem CID66858921
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name1-(3-amino-1,1-dioxothiolan-2-yl)ethanol
SMILESCC(O)C1C(N)CCS1(=O)=O
InChIInChI=1S/C6H13NO3S/c1-4(8)6-5(7)2-3-11(6,9)10/h4-6,8H,2-3,7H2,1H3
InChIKeyWGSOBGIHOSTESU-UHFFFAOYSA-N
XLogP-1.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol?
The IUPAC name of 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol (CID 66858921) is 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol.
What is the SMILES notation for 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol?
The canonical SMILES for 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol is CC(O)C1C(N)CCS1(=O)=O.
What is the InChIKey of 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol?
The InChIKey is WGSOBGIHOSTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-4(8)6-5(7)2-3-11(6,9)10/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol?
1-(3-amino-1,1-dioxothiolan-2-yl)ethanol has a molecular weight of 179.24 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1-dioxothiolan-2-yl)ethanol is sourced from PubChem (CID 66858921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).