N-prop-2-enylsulfonylprop-2-enamide

C6H9NO3S — CID 87345216

IUPACN-prop-2-enylsulfonylprop-2-enamide
SMILESC=CCS(=O)(=O)NC(=O)C=C
InChIInChI=1S/C6H9NO3S/c1-3-5-11(9,10)7-6(8)4-2/h3-4H,1-2,5H2,(H,7,8)
InChIKeyDBLAEEKASJUQGL-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.20
Rot. Bonds4

About N-prop-2-enylsulfonylprop-2-enamide

N-prop-2-enylsulfonylprop-2-enamide (PubChem CID 87345216) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is N-prop-2-enylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-prop-2-enylsulfonylprop-2-enamide
PubChem CID87345216
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC NameN-prop-2-enylsulfonylprop-2-enamide
SMILESC=CCS(=O)(=O)NC(=O)C=C
InChIInChI=1S/C6H9NO3S/c1-3-5-11(9,10)7-6(8)4-2/h3-4H,1-2,5H2,(H,7,8)
InChIKeyDBLAEEKASJUQGL-UHFFFAOYSA-N
XLogP-0.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-1lambda6,2-thiazole-1,1-dione
CID 12477034
Acrylamido methylpropanesulfonate
CID 18541631
Ethenesulfonic acid;prop-2-enamide
CID 18671153
Acrylamido propyl sulfonic acid
CID 19086449
Methylsulfonyl acrylamide
CID 20608054
Acrylamide methylpropanesulfonic acid
CID 21871899
(e)-3-(Methylsulfonyl)-propenoic acid amide
CID 55285479
N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide
CID 155170689
(E)-N-(2,2,2-trifluoroethylsulfonyl)but-2-enamide
CID 155170692
(Prop-2-enoylamino) ethanesulfonate
CID 18400254
(Prop-2-enoylamino) propane-2-sulfonate
CID 18551427
Prop-2-enamide;prop-2-ene-1-sulfonic acid
CID 18945831

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylsulfonylprop-2-enamide?
The IUPAC name of N-prop-2-enylsulfonylprop-2-enamide (CID 87345216) is N-prop-2-enylsulfonylprop-2-enamide.
What is the SMILES notation for N-prop-2-enylsulfonylprop-2-enamide?
The canonical SMILES for N-prop-2-enylsulfonylprop-2-enamide is C=CCS(=O)(=O)NC(=O)C=C.
What is the InChIKey of N-prop-2-enylsulfonylprop-2-enamide?
The InChIKey is DBLAEEKASJUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-3-5-11(9,10)7-6(8)4-2/h3-4H,1-2,5H2,(H,7,8).
What are the key properties of N-prop-2-enylsulfonylprop-2-enamide?
N-prop-2-enylsulfonylprop-2-enamide has a molecular weight of 175.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylsulfonylprop-2-enamide is sourced from PubChem (CID 87345216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).