N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide

C14H19NO3S — CID 11033296

IUPACN-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C14H19NO3S/c1-9-5-7-12(8-6-9)19(17,18)15(4)13-10(2)11(3)14(13)16/h5-8,10-11,13H,1-4H3/t10-,11-,13+/m1/s1
InChIKeyUOITUFDSLYVXFD-WZRBSPASSA-N
MW281.38 g/mol
LogP1.84
Rot. Bonds3

About N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide

N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 11033296) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
PubChem CID11033296
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C14H19NO3S/c1-9-5-7-12(8-6-9)19(17,18)15(4)13-10(2)11(3)14(13)16/h5-8,10-11,13H,1-4H3/t10-,11-,13+/m1/s1
InChIKeyUOITUFDSLYVXFD-WZRBSPASSA-N
XLogP1.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
1-Tosylazetidin-3-one
CID 535520
N-Tosyl-L-lysinyl methyl ketone
CID 5289452
2-Ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 44825799
2-Ethyl-1-[(4-methylphenyl)sulfonyl]azetidin-3-one
CID 550954
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
N,4-Dimethyl-N-(2-oxopropyl)benzenesulfonamide
CID 593183
N-(4-Methylbenzenesulfonyl)-2-methylazetidin-3-one
CID 544745
(4R,5S)-4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 11021870
N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide
CID 12995808
N,4-dimethyl-N-[(1S,7R,8S)-9-oxo-8-bicyclo[5.2.0]nonanyl]benzenesulfonamide
CID 12995811
N-[(1S,2R)-2-butyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 12997090

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide (CID 11033296) is N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H](C)[C@H]2C)cc1.
What is the InChIKey of N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is UOITUFDSLYVXFD-WZRBSPASSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-5-7-12(8-6-9)19(17,18)15(4)13-10(2)11(3)14(13)16/h5-8,10-11,13H,1-4H3/t10-,11-,13+/m1/s1.
What are the key properties of N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide?
N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 11033296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).