2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide

C15H21ClN2O3S — CID 11382361

IUPAC2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CS(=O)CC(=O)NO)C1
InChIInChI=1S/C15H21ClN2O3S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)/t12-,14-,22?/m1/s1
InChIKeyIDGXSXYPWWIJPY-PBDXTPLQSA-N
MW344.86 g/mol
LogP1.63
Rot. Bonds5

About 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide

2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide (PubChem CID 11382361) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide
PubChem CID11382361
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CS(=O)CC(=O)NO)C1
InChIInChI=1S/C15H21ClN2O3S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)/t12-,14-,22?/m1/s1
InChIKeyIDGXSXYPWWIJPY-PBDXTPLQSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide 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

2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-methylacetamide
CID 11439307
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-methylacetamide
CID 11301852
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 22649568
2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
CID 11471946
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]ethanol
CID 11594586
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
CID 68807567
5-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]oxypentyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10076847
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
(4R)-4-(4-chlorophenyl)-1-methyl-3-propan-2-ylpiperidine
CID 70966986
[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 124675472
2-[2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 12991656

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide?
The IUPAC name of 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide (CID 11382361) is 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CS(=O)CC(=O)NO)C1.
What is the InChIKey of 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide?
The InChIKey is IDGXSXYPWWIJPY-PBDXTPLQSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)/t12-,14-,22?/m1/s1.
What are the key properties of 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide?
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide has a molecular weight of 344.86 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide is sourced from PubChem (CID 11382361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).