N-propylsulfonylprop-2-enamide

C6H11NO3S — CID 56621006

IUPACN-propylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)CCC
InChIInChI=1S/C6H11NO3S/c1-3-5-11(9,10)7-6(8)4-2/h4H,2-3,5H2,1H3,(H,7,8)
InChIKeyVOGMAXADSDXHLS-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.03
Rot. Bonds4

About N-propylsulfonylprop-2-enamide

N-propylsulfonylprop-2-enamide (PubChem CID 56621006) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-propylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-propylsulfonylprop-2-enamide
PubChem CID56621006
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-propylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)CCC
InChIInChI=1S/C6H11NO3S/c1-3-5-11(9,10)7-6(8)4-2/h4H,2-3,5H2,1H3,(H,7,8)
InChIKeyVOGMAXADSDXHLS-UHFFFAOYSA-N
XLogP0.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propylsulfonylprop-2-enamide?
The IUPAC name of N-propylsulfonylprop-2-enamide (CID 56621006) is N-propylsulfonylprop-2-enamide.
What is the SMILES notation for N-propylsulfonylprop-2-enamide?
The canonical SMILES for N-propylsulfonylprop-2-enamide is C=CC(=O)NS(=O)(=O)CCC.
What is the InChIKey of N-propylsulfonylprop-2-enamide?
The InChIKey is VOGMAXADSDXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3-5-11(9,10)7-6(8)4-2/h4H,2-3,5H2,1H3,(H,7,8).
What are the key properties of N-propylsulfonylprop-2-enamide?
N-propylsulfonylprop-2-enamide has a molecular weight of 177.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfonylprop-2-enamide is sourced from PubChem (CID 56621006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).