[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C20H23NO3S — CID 7462212

IUPAC[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO3S/c1-15-12-16(2)14-21(13-15)20(22)17-8-10-19(11-9-17)25(23,24)18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyOLSQILFSNFNNFI-HOTGVXAUSA-N
MW357.47 g/mol
LogP3.64
Rot. Bonds3

About [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 7462212) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID7462212
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO3S/c1-15-12-16(2)14-21(13-15)20(22)17-8-10-19(11-9-17)25(23,24)18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyOLSQILFSNFNNFI-HOTGVXAUSA-N
XLogP3.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 26009023
4-(3,5-dimethylpiperidine-1-carbonyl)-N-ethyl-N-phenylbenzenesulfonamide
CID 17479841
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119085
N-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]-phenylmethylidene]benzenesulfonamide
CID 7721969
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 51415840
(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
CID 55347658
1-(4-butylsulfonylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117138

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 7462212) is [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)C1.
What is the InChIKey of [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is OLSQILFSNFNNFI-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15-12-16(2)14-21(13-15)20(22)17-8-10-19(11-9-17)25(23,24)18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 357.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 7462212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).