[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

C23H34N2O3S — CID 6973311

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CC2)cc1
InChIInChI=1S/C23H34N2O3S/c1-17-5-7-20(8-6-17)29(27,28)24-11-9-18(10-12-24)21(26)25-16-23(4)14-19(25)13-22(2,3)15-23/h5-8,18-19H,9-16H2,1-4H3/t19-,23+/m1/s1
InChIKeyYJFXTAYMXCGOJD-XXBNENTESA-N
MW418.60 g/mol
LogP3.82
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 6973311) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
PubChem CID6973311
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CC2)cc1
InChIInChI=1S/C23H34N2O3S/c1-17-5-7-20(8-6-17)29(27,28)24-11-9-18(10-12-24)21(26)25-16-23(4)14-19(25)13-22(2,3)15-23/h5-8,18-19H,9-16H2,1-4H3/t19-,23+/m1/s1
InChIKeyYJFXTAYMXCGOJD-XXBNENTESA-N
XLogP3.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 6973310
[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 40804779
[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 51017316
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3968464
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119435824
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649266
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 63006842
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (CID 6973311) is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The InChIKey is YJFXTAYMXCGOJD-XXBNENTESA-N. The full InChI is InChI=1S/C23H34N2O3S/c1-17-5-7-20(8-6-17)29(27,28)24-11-9-18(10-12-24)21(26)25-16-23(4)14-19(25)13-22(2,3)15-23/h5-8,18-19H,9-16H2,1-4H3/t19-,23+/m1/s1.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 418.60 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 6973311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).