3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

C21H26N2O3S — CID 2331661

IUPAC3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H26N2O3S/c1-16-12-17(2)15-23(14-16)21(24)18-8-7-11-20(13-18)27(25,26)22(3)19-9-5-4-6-10-19/h4-11,13,16-17H,12,14-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyLKWXAYMDUVCMDZ-IAGOWNOFSA-N
MW386.52 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 2331661) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID2331661
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H26N2O3S/c1-16-12-17(2)15-23(14-16)21(24)18-8-7-11-20(13-18)27(25,26)22(3)19-9-5-4-6-10-19/h4-11,13,16-17H,12,14-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyLKWXAYMDUVCMDZ-IAGOWNOFSA-N
XLogP3.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 4803894
N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71909879
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55330146
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
N,N-diethyl-2-[4-[3-[methyl(phenyl)sulfamoyl]benzoyl]-1,4-diazepan-1-yl]acetamide
CID 55631894
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (CID 2331661) is 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1.
What is the InChIKey of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is LKWXAYMDUVCMDZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-12-17(2)15-23(14-16)21(24)18-8-7-11-20(13-18)27(25,26)22(3)19-9-5-4-6-10-19/h4-11,13,16-17H,12,14-15H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2331661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).