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

C4H9NO3S — CID 57496266

IUPAC2-methyl-1-oxo-1-(sulfinoamino)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)
InChIKeyMPCBUEWUQIUXFS-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.10
Rot. Bonds2

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

2-methyl-1-oxo-1-(sulfinoamino)propane (PubChem CID 57496266) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-methyl-1-oxo-1-(sulfinoamino)propane.

Molecular Properties

Compound Name2-methyl-1-oxo-1-(sulfinoamino)propane
PubChem CID57496266
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name2-methyl-1-oxo-1-(sulfinoamino)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)
InChIKeyMPCBUEWUQIUXFS-UHFFFAOYSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-1-(sulfinoamino)propane?
The IUPAC name of 2-methyl-1-oxo-1-(sulfinoamino)propane (CID 57496266) is 2-methyl-1-oxo-1-(sulfinoamino)propane.
What is the SMILES notation for 2-methyl-1-oxo-1-(sulfinoamino)propane?
The canonical SMILES for 2-methyl-1-oxo-1-(sulfinoamino)propane is CC(C)C(=O)NS(=O)O.
What is the InChIKey of 2-methyl-1-oxo-1-(sulfinoamino)propane?
The InChIKey is MPCBUEWUQIUXFS-UHFFFAOYSA-N. 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).
What are the key properties of 2-methyl-1-oxo-1-(sulfinoamino)propane?
2-methyl-1-oxo-1-(sulfinoamino)propane has a molecular weight of 151.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-1-(sulfinoamino)propane is sourced from PubChem (CID 57496266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).