(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate

C20H23NO4S — CID 18227376

IUPAC(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
SMILESCc1ccc(COC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c1-16-10-12-17(13-11-16)15-25-20(22)19-9-5-6-14-21(19)26(23,24)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3
InChIKeyBPBDMMCXBSJCAC-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.28
Rot. Bonds5

About (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate

(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate (PubChem CID 18227376) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
PubChem CID18227376
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
SMILESCc1ccc(COC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c1-16-10-12-17(13-11-16)15-25-20(22)19-9-5-6-14-21(19)26(23,24)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3
InChIKeyBPBDMMCXBSJCAC-UHFFFAOYSA-N
XLogP3.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate 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

(4-chlorophenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 18281212
(4-methylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7569943
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42983453
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
1,3-benzothiazol-2-ylmethyl (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 27278317
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 43032658
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 55355228
[2-(tert-butylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617586
[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617627
benzyl 1-(3-cyanophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3695394
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate (CID 18227376) is (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate is Cc1ccc(COC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
The InChIKey is BPBDMMCXBSJCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-16-10-12-17(13-11-16)15-25-20(22)19-9-5-6-14-21(19)26(23,24)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3.
What are the key properties of (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate has a molecular weight of 373.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 18227376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).