2-methyl-1-oxo-1-(sulfinatoamino)propane

C4H8NO3S- — CID 57496265

IUPAC2-methyl-1-oxo-1-(sulfinatoamino)propane
SMILESCC(C)C(=O)NS(=O)[O-]
InChIInChI=1S/C4H9NO3S/c1-3(2)4(6)5-9(7)8/h3H,1-2H3,(H,5,6)(H,7,8)/p-1
InChIKeyMPCBUEWUQIUXFS-UHFFFAOYSA-M
MW150.18 g/mol
LogP-0.45
Rot. Bonds2

About 2-methyl-1-oxo-1-(sulfinatoamino)propane

2-methyl-1-oxo-1-(sulfinatoamino)propane (PubChem CID 57496265) has the molecular formula C4H8NO3S- and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-1-oxo-1-(sulfinatoamino)propane.

Molecular Properties

Compound Name2-methyl-1-oxo-1-(sulfinatoamino)propane
PubChem CID57496265
Molecular FormulaC4H8NO3S-
Molecular Weight150.18 g/mol
Exact Mass150.02
IUPAC Name2-methyl-1-oxo-1-(sulfinatoamino)propane
SMILESCC(C)C(=O)NS(=O)[O-]
InChIInChI=1S/C4H9NO3S/c1-3(2)4(6)5-9(7)8/h3H,1-2H3,(H,5,6)(H,7,8)/p-1
InChIKeyMPCBUEWUQIUXFS-UHFFFAOYSA-M
XLogP-0.45
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isobutyramide
CID 68424
N-propionylsulfonamide
CID 17903923
2-Methyl-d3-propionic-3,3,3-d3-amide
CID 45039886
2-methyl-N-methylsulfonylpropanamide
CID 18730055
2-Methylpropanamide;dihydrate
CID 19043645
1-Oxo-1-(sulfinatoamino)butane
CID 20318553
N-propanoylsulfinamoylpropanamide
CID 21014719
2-Methylpropanamide;hydrate
CID 21702895
N-(dimethylsulfamoyl)-2-methylpropanamide
CID 23089098
2,2-Dimethyl-1-oxo-1-(sulfinatoamino)propane
CID 57033718
2-Methyl-1-oxo-1-(sulfinoamino)propane
CID 57496266
2-Methyl-1-oxo-1-(sulfinatoamino)propane;tungsten
CID 57785751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-1-(sulfinatoamino)propane?
The IUPAC name of 2-methyl-1-oxo-1-(sulfinatoamino)propane (CID 57496265) is 2-methyl-1-oxo-1-(sulfinatoamino)propane.
What is the SMILES notation for 2-methyl-1-oxo-1-(sulfinatoamino)propane?
The canonical SMILES for 2-methyl-1-oxo-1-(sulfinatoamino)propane is CC(C)C(=O)NS(=O)[O-].
What is the InChIKey of 2-methyl-1-oxo-1-(sulfinatoamino)propane?
The InChIKey is MPCBUEWUQIUXFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO3S/c1-3(2)4(6)5-9(7)8/h3H,1-2H3,(H,5,6)(H,7,8)/p-1.
What are the key properties of 2-methyl-1-oxo-1-(sulfinatoamino)propane?
2-methyl-1-oxo-1-(sulfinatoamino)propane has a molecular weight of 150.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-1-(sulfinatoamino)propane is sourced from PubChem (CID 57496265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).