N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

C15H19NO3S — CID 74627755

IUPACN-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
SMILESC=CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO3S/c1-4-16(11-15(3)9-13(17)10-15)20(18,19)14-7-5-12(2)6-8-14/h4-8H,1,9-11H2,2-3H3
InChIKeyKTMFEFCCRFXENA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.50
Rot. Bonds5

About N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide (PubChem CID 74627755) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
PubChem CID74627755
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
SMILESC=CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO3S/c1-4-16(11-15(3)9-13(17)10-15)20(18,19)14-7-5-12(2)6-8-14/h4-8H,1,9-11H2,2-3H3
InChIKeyKTMFEFCCRFXENA-UHFFFAOYSA-N
XLogP2.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
2-Ethyl-1-[(4-methylphenyl)sulfonyl]azetidin-3-one
CID 550954
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
N-(2-(4-Fluorophenyl)allyl)-4-methyl-N-((1-methyl-3-oxocyclobutyl)methyl)benzenesulfonamide
CID 74627737
N-[(1S,2R)-2-butyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 12997090
2-Tosyl-2-azaspiro[3.3]heptan-6-one
CID 118703371
6,6-Dimethyl-2-(4-methylbenzenesulfonyl)-2-azaspiro[3.3]heptane
CID 137967612
1-[(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanone
CID 165116718
3-Methyl-1-tosylpiperidin-4-one
CID 3865867
2-Methyl-1-tosylpiperidin-4-one
CID 2873797
N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 11033296
4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide
CID 11324645

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide (CID 74627755) is N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide is C=CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The InChIKey is KTMFEFCCRFXENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-4-16(11-15(3)9-13(17)10-15)20(18,19)14-7-5-12(2)6-8-14/h4-8H,1,9-11H2,2-3H3.
What are the key properties of N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 74627755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).