2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine

C9H14N2O3S — CID 83850372

IUPAC2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1onc2c1CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O3S/c1-9(2,10)8-6-5-15(12,13)4-3-7(6)11-14-8/h3-5,10H2,1-2H3
InChIKeyUMTNOZUFDFMLOC-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.34
Rot. Bonds1

About 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine

2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine (PubChem CID 83850372) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine
PubChem CID83850372
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1onc2c1CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O3S/c1-9(2,10)8-6-5-15(12,13)4-3-7(6)11-14-8/h3-5,10H2,1-2H3
InChIKeyUMTNOZUFDFMLOC-UHFFFAOYSA-N
XLogP0.34
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine?
The IUPAC name of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine (CID 83850372) is 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine is CC(C)(N)c1onc2c1CS(=O)(=O)CC2.
What is the InChIKey of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine?
The InChIKey is UMTNOZUFDFMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(2,10)8-6-5-15(12,13)4-3-7(6)11-14-8/h3-5,10H2,1-2H3.
What are the key properties of 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine?
2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine has a molecular weight of 230.29 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c][1,2]oxazol-3-yl)propan-2-amine is sourced from PubChem (CID 83850372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).