N-acetylethanesulfonimidic acid

C4H9NO3S — CID 54157911

IUPACN-acetylethanesulfonimidic acid
SMILESCCS(=O)(O)=NC(C)=O
InChIInChI=1S/C4H9NO3S/c1-3-9(7,8)5-4(2)6/h3H2,1-2H3,(H,5,6,7,8)
InChIKeyOMJLRQCRCZTEHI-UHFFFAOYSA-N
MW151.19 g/mol
LogP0.49
Rot. Bonds1

About N-acetylethanesulfonimidic acid

N-acetylethanesulfonimidic acid (PubChem CID 54157911) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is N-acetylethanesulfonimidic acid.

Molecular Properties

Compound NameN-acetylethanesulfonimidic acid
PubChem CID54157911
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC NameN-acetylethanesulfonimidic acid
SMILESCCS(=O)(O)=NC(C)=O
InChIInChI=1S/C4H9NO3S/c1-3-9(7,8)5-4(2)6/h3H2,1-2H3,(H,5,6,7,8)
InChIKeyOMJLRQCRCZTEHI-UHFFFAOYSA-N
XLogP0.49
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetylethanesulfonimidic acid?
The IUPAC name of N-acetylethanesulfonimidic acid (CID 54157911) is N-acetylethanesulfonimidic acid.
What is the SMILES notation for N-acetylethanesulfonimidic acid?
The canonical SMILES for N-acetylethanesulfonimidic acid is CCS(=O)(O)=NC(C)=O.
What is the InChIKey of N-acetylethanesulfonimidic acid?
The InChIKey is OMJLRQCRCZTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-3-9(7,8)5-4(2)6/h3H2,1-2H3,(H,5,6,7,8).
What are the key properties of N-acetylethanesulfonimidic acid?
N-acetylethanesulfonimidic acid has a molecular weight of 151.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylethanesulfonimidic acid is sourced from PubChem (CID 54157911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).