N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide

C6H12N2O6S2 — CID 170197710

IUPACN-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide
SMILESC=CC(=O)NOCCS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C6H12N2O6S2/c1-3-6(9)7-14-4-5-16(12,13)8-15(2,10)11/h3,8H,1,4-5H2,2H3,(H,7,9)
InChIKeyPJHNKEPNGCPVOW-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.90
Rot. Bonds7

About N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide

N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide (PubChem CID 170197710) has the molecular formula C6H12N2O6S2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide
PubChem CID170197710
Molecular FormulaC6H12N2O6S2
Molecular Weight272.30 g/mol
Exact Mass272.01
IUPAC NameN-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide
SMILESC=CC(=O)NOCCS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C6H12N2O6S2/c1-3-6(9)7-14-4-5-16(12,13)8-15(2,10)11/h3,8H,1,4-5H2,2H3,(H,7,9)
InChIKeyPJHNKEPNGCPVOW-UHFFFAOYSA-N
XLogP-1.90
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide?
The IUPAC name of N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide (CID 170197710) is N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide.
What is the SMILES notation for N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide?
The canonical SMILES for N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide is C=CC(=O)NOCCS(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide?
The InChIKey is PJHNKEPNGCPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O6S2/c1-3-6(9)7-14-4-5-16(12,13)8-15(2,10)11/h3,8H,1,4-5H2,2H3,(H,7,9).
What are the key properties of N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide?
N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of -1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfonylsulfamoyl)ethoxy]prop-2-enamide is sourced from PubChem (CID 170197710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).