2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol

C7H15NO3S — CID 83907587

IUPAC2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol
SMILESCC1CC(C(O)CN)CS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-5-2-6(7(9)3-8)4-12(5,10)11/h5-7,9H,2-4,8H2,1H3
InChIKeyNUEBXCBWYAGXND-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.87
Rot. Bonds2

About 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol

2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol (PubChem CID 83907587) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol
PubChem CID83907587
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol
SMILESCC1CC(C(O)CN)CS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-5-2-6(7(9)3-8)4-12(5,10)11/h5-7,9H,2-4,8H2,1H3
InChIKeyNUEBXCBWYAGXND-UHFFFAOYSA-N
XLogP-0.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol?
The IUPAC name of 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol (CID 83907587) is 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol is CC1CC(C(O)CN)CS1(=O)=O.
What is the InChIKey of 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol?
The InChIKey is NUEBXCBWYAGXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5-2-6(7(9)3-8)4-12(5,10)11/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol?
2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol has a molecular weight of 193.27 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methyl-1,1-dioxothiolan-3-yl)ethanol is sourced from PubChem (CID 83907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).