N-[2-(methanesulfonamido)ethyl]prop-2-enamide

C6H12N2O3S — CID 43616709

IUPACN-[2-(methanesulfonamido)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-3-6(9)7-4-5-8-12(2,10)11/h3,8H,1,4-5H2,2H3,(H,7,9)
InChIKeyBZPZJQMYZRPIFS-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.16
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]prop-2-enamide

N-[2-(methanesulfonamido)ethyl]prop-2-enamide (PubChem CID 43616709) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]prop-2-enamide
PubChem CID43616709
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-[2-(methanesulfonamido)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-3-6(9)7-4-5-8-12(2,10)11/h3,8H,1,4-5H2,2H3,(H,7,9)
InChIKeyBZPZJQMYZRPIFS-UHFFFAOYSA-N
XLogP-1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]prop-2-enamide (CID 43616709) is N-[2-(methanesulfonamido)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]prop-2-enamide is C=CC(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]prop-2-enamide?
The InChIKey is BZPZJQMYZRPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-3-6(9)7-4-5-8-12(2,10)11/h3,8H,1,4-5H2,2H3,(H,7,9).
What are the key properties of N-[2-(methanesulfonamido)ethyl]prop-2-enamide?
N-[2-(methanesulfonamido)ethyl]prop-2-enamide has a molecular weight of 192.24 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]prop-2-enamide is sourced from PubChem (CID 43616709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).