4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide

C17H21NO3S — CID 11484018

IUPAC4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C[C@@H]1C=CC(=O)[C@H]1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-11-18(12-15-7-10-17(19)14(15)3)22(20,21)16-8-5-13(2)6-9-16/h4-10,14-15H,1,11-12H2,2-3H3/t14-,15-/m0/s1
InChIKeyGOIWTFJQJBJZHS-GJZGRUSLSA-N
MW319.43 g/mol
LogP2.56
Rot. Bonds6

About 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide

4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 11484018) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID11484018
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C[C@@H]1C=CC(=O)[C@H]1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-11-18(12-15-7-10-17(19)14(15)3)22(20,21)16-8-5-13(2)6-9-16/h4-10,14-15H,1,11-12H2,2-3H3/t14-,15-/m0/s1
InChIKeyGOIWTFJQJBJZHS-GJZGRUSLSA-N
XLogP2.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
N-(3-methylbutyl)-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 5075017
1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone
CID 787672
5-Methyl-1-((4-methylphenyl)sulfonyl)-1,6-dihydro-3(2H)-pyridinone
CID 677384
1-[4-(1-Piperidinylsulfonyl)phenyl]ethanone
CID 750364
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
2-(4-Methylphenyl)sulfonyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11783164
1-[4-(Azepane-1-sulfonyl)phenyl]ethan-1-one
CID 864331
(3E)-3-[fluoro(phenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 101778847
1-(4-Methylphenyl)sulfonylpiperidine-4-carbonyl fluoride
CID 177851599
1-[(1S,5R)-8-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
CID 10686030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide (CID 11484018) is 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(C[C@@H]1C=CC(=O)[C@H]1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GOIWTFJQJBJZHS-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-11-18(12-15-7-10-17(19)14(15)3)22(20,21)16-8-5-13(2)6-9-16/h4-10,14-15H,1,11-12H2,2-3H3/t14-,15-/m0/s1.
What are the key properties of 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11484018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).