(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

C17H26N2O3S2 — CID 95119092

IUPAC(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O3S2/c1-3-24(21,22)19-11-4-5-15(13-19)17(20)18-10-12-23-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyKSFBUMAGFNSVBP-OAHLLOKOSA-N
MW370.54 g/mol
LogP2.27
Rot. Bonds7

About (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide (PubChem CID 95119092) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
PubChem CID95119092
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC Name(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O3S2/c1-3-24(21,22)19-11-4-5-15(13-19)17(20)18-10-12-23-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyKSFBUMAGFNSVBP-OAHLLOKOSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide 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-(dimethylsulfamoyl)-N-[3-(4-methylphenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 70702920
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
(2S)-1-(benzenesulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]pyrrolidine-2-carboxamide
CID 2226544
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
1-[(3-chlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43920667
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
(3S)-N-[2-(3-chloro-4-methylphenoxy)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125071394

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide (CID 95119092) is (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ccc(C)cc2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The InChIKey is KSFBUMAGFNSVBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-3-24(21,22)19-11-4-5-15(13-19)17(20)18-10-12-23-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95119092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).