2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane

C5H10N2O5S — CID 67213410

IUPAC2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane
SMILESCC(=O)N(C)CC(=O)ONS(=O)O
InChIInChI=1S/C5H10N2O5S/c1-4(8)7(2)3-5(9)12-6-13(10)11/h6H,3H2,1-2H3,(H,10,11)
InChIKeyQLIPUVJDQUZSHF-UHFFFAOYSA-N
MW210.21 g/mol
LogP-1.35
Rot. Bonds4

About 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane

2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane (PubChem CID 67213410) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane
PubChem CID67213410
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane
SMILESCC(=O)N(C)CC(=O)ONS(=O)O
InChIInChI=1S/C5H10N2O5S/c1-4(8)7(2)3-5(9)12-6-13(10)11/h6H,3H2,1-2H3,(H,10,11)
InChIKeyQLIPUVJDQUZSHF-UHFFFAOYSA-N
XLogP-1.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane?
The IUPAC name of 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane (CID 67213410) is 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane.
What is the SMILES notation for 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane?
The canonical SMILES for 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane is CC(=O)N(C)CC(=O)ONS(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane?
The InChIKey is QLIPUVJDQUZSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-4(8)7(2)3-5(9)12-6-13(10)11/h6H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane?
2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane has a molecular weight of 210.21 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-1-oxo-1-(sulfinoamino)oxyethane is sourced from PubChem (CID 67213410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).