N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide

C7H14N2O4S — CID 129202774

IUPACN-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide
SMILESC=C(NC(C)=O)N(OCC)S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-5-13-9(14(4,11)12)6(2)8-7(3)10/h2,5H2,1,3-4H3,(H,8,10)
InChIKeyMHIAWGVXMMFIJM-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.19
Rot. Bonds5

About N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide

N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide (PubChem CID 129202774) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide
PubChem CID129202774
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC NameN-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide
SMILESC=C(NC(C)=O)N(OCC)S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-5-13-9(14(4,11)12)6(2)8-7(3)10/h2,5H2,1,3-4H3,(H,8,10)
InChIKeyMHIAWGVXMMFIJM-UHFFFAOYSA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide?
The IUPAC name of N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide (CID 129202774) is N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide.
What is the SMILES notation for N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide?
The canonical SMILES for N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide is C=C(NC(C)=O)N(OCC)S(C)(=O)=O.
What is the InChIKey of N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide?
The InChIKey is MHIAWGVXMMFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-5-13-9(14(4,11)12)6(2)8-7(3)10/h2,5H2,1,3-4H3,(H,8,10).
What are the key properties of N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide?
N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide has a molecular weight of 222.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethoxy(methylsulfonyl)amino]ethenyl]acetamide is sourced from PubChem (CID 129202774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).