N-(methylsulfonylmethyl)prop-2-enamide

C5H9NO3S — CID 87373024

IUPACN-(methylsulfonylmethyl)prop-2-enamide
SMILESC=CC(=O)NCS(C)(=O)=O
InChIInChI=1S/C5H9NO3S/c1-3-5(7)6-4-10(2,8)9/h3H,1,4H2,2H3,(H,6,7)
InChIKeyWIPLPXVUXICVMF-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.71
Rot. Bonds3

About N-(methylsulfonylmethyl)prop-2-enamide

N-(methylsulfonylmethyl)prop-2-enamide (PubChem CID 87373024) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is N-(methylsulfonylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(methylsulfonylmethyl)prop-2-enamide
PubChem CID87373024
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC NameN-(methylsulfonylmethyl)prop-2-enamide
SMILESC=CC(=O)NCS(C)(=O)=O
InChIInChI=1S/C5H9NO3S/c1-3-5(7)6-4-10(2,8)9/h3H,1,4H2,2H3,(H,6,7)
InChIKeyWIPLPXVUXICVMF-UHFFFAOYSA-N
XLogP-0.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.71
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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Related Compounds

(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
CID 162923995
(Z)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
CID 162923996
sodium N-sulfonatomethylacrylamide
CID 23704982
(E)-N-methyl-3-methylsulfinylprop-2-enamide
CID 15230427
Methanesulfonic acid, [(1-oxo-2-propenyl)amino]-
CID 6455500
N-(methylsulfanylmethyl)prop-2-enamide
CID 13452213
N-(propylsulfonylmethyl)prop-2-enamide
CID 23287250
N-methyl-3-propylsulfonylprop-2-enamide
CID 54384095
Propyl (prop-2-enoylamino)methanesulfonate
CID 57293864
Potassium (prop-2-enoylamino)methanesulfonate
CID 87554241
Methyl (prop-2-enoylamino)methanesulfonate
CID 90278437
N-(acetylsulfamoylmethyl)prop-2-enamide
CID 117768430

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfonylmethyl)prop-2-enamide?
The IUPAC name of N-(methylsulfonylmethyl)prop-2-enamide (CID 87373024) is N-(methylsulfonylmethyl)prop-2-enamide.
What is the SMILES notation for N-(methylsulfonylmethyl)prop-2-enamide?
The canonical SMILES for N-(methylsulfonylmethyl)prop-2-enamide is C=CC(=O)NCS(C)(=O)=O.
What is the InChIKey of N-(methylsulfonylmethyl)prop-2-enamide?
The InChIKey is WIPLPXVUXICVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-3-5(7)6-4-10(2,8)9/h3H,1,4H2,2H3,(H,6,7).
What are the key properties of N-(methylsulfonylmethyl)prop-2-enamide?
N-(methylsulfonylmethyl)prop-2-enamide has a molecular weight of 163.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfonylmethyl)prop-2-enamide is sourced from PubChem (CID 87373024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).