N-ethylethanimidoyl chloride;methanesulfonic acid

C5H12ClNO3S — CID 173257928

IUPACN-ethylethanimidoyl chloride;methanesulfonic acid
SMILESCC/N=C(\C)Cl.CS(=O)(=O)O
InChIInChI=1S/C4H8ClN.CH4O3S/c1-3-6-4(2)5;1-5(2,3)4/h3H2,1-2H3;1H3,(H,2,3,4)/b6-4+;
InChIKeyVPJVXEVSVDXMJK-CVDVRWGVSA-N
MW201.67 g/mol
LogP1.17
Rot. Bonds1

About N-ethylethanimidoyl chloride;methanesulfonic acid

N-ethylethanimidoyl chloride;methanesulfonic acid (PubChem CID 173257928) has the molecular formula C5H12ClNO3S and a molecular weight of 201.67 g/mol. Its IUPAC name is N-ethylethanimidoyl chloride;methanesulfonic acid.

Molecular Properties

Compound NameN-ethylethanimidoyl chloride;methanesulfonic acid
PubChem CID173257928
Molecular FormulaC5H12ClNO3S
Molecular Weight201.67 g/mol
Exact Mass201.02
IUPAC NameN-ethylethanimidoyl chloride;methanesulfonic acid
SMILESCC/N=C(\C)Cl.CS(=O)(=O)O
InChIInChI=1S/C4H8ClN.CH4O3S/c1-3-6-4(2)5;1-5(2,3)4/h3H2,1-2H3;1H3,(H,2,3,4)/b6-4+;
InChIKeyVPJVXEVSVDXMJK-CVDVRWGVSA-N
XLogP1.17
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanimidoyl chloride;methanesulfonic acid?
The IUPAC name of N-ethylethanimidoyl chloride;methanesulfonic acid (CID 173257928) is N-ethylethanimidoyl chloride;methanesulfonic acid.
What is the SMILES notation for N-ethylethanimidoyl chloride;methanesulfonic acid?
The canonical SMILES for N-ethylethanimidoyl chloride;methanesulfonic acid is CC/N=C(\C)Cl.CS(=O)(=O)O.
What is the InChIKey of N-ethylethanimidoyl chloride;methanesulfonic acid?
The InChIKey is VPJVXEVSVDXMJK-CVDVRWGVSA-N. The full InChI is InChI=1S/C4H8ClN.CH4O3S/c1-3-6-4(2)5;1-5(2,3)4/h3H2,1-2H3;1H3,(H,2,3,4)/b6-4+;.
What are the key properties of N-ethylethanimidoyl chloride;methanesulfonic acid?
N-ethylethanimidoyl chloride;methanesulfonic acid has a molecular weight of 201.67 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanimidoyl chloride;methanesulfonic acid is sourced from PubChem (CID 173257928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).