5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one

C14H19NO3S — CID 14899550

IUPAC5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one
SMILESCN1CC(S(=O)(=O)c2ccccc2)C(=O)CC1(C)C
InChIInChI=1S/C14H19NO3S/c1-14(2)9-12(16)13(10-15(14)3)19(17,18)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyCRAKMQKFDSKQAC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.51
Rot. Bonds2

About 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one

5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one (PubChem CID 14899550) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one
PubChem CID14899550
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one
SMILESCN1CC(S(=O)(=O)c2ccccc2)C(=O)CC1(C)C
InChIInChI=1S/C14H19NO3S/c1-14(2)9-12(16)13(10-15(14)3)19(17,18)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyCRAKMQKFDSKQAC-UHFFFAOYSA-N
XLogP1.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
1-(2-Benzenesulfonyl-1-methyl-ethyl)-piperidine
CID 574429
1-(3,5-Dimethylpiperidin-1-yl)-2-(phenylsulfonyl)ethanone
CID 4434364
3-Benzenesulfonyl-1-methyl-piperidin-2-one
CID 18414710
1-[4-(Benzenesulfonylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110661945
1-Tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 118309403
1-Benzenesulfonyl-2,5-dimethyl-piperidin-4-one
CID 555253
2-(Phenylsulfonyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone
CID 101560316
1-[(3S,4S)-4-(benzenesulfonyl)-1-butylpyrrolidin-3-yl]ethanone
CID 135050136
1-[(3S,4S)-4-(benzenesulfonyl)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 135050365

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one?
The IUPAC name of 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one (CID 14899550) is 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one.
What is the SMILES notation for 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one?
The canonical SMILES for 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one is CN1CC(S(=O)(=O)c2ccccc2)C(=O)CC1(C)C.
What is the InChIKey of 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one?
The InChIKey is CRAKMQKFDSKQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-14(2)9-12(16)13(10-15(14)3)19(17,18)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one?
5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one has a molecular weight of 281.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1,2,2-trimethylpiperidin-4-one is sourced from PubChem (CID 14899550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).