ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate

C24H32N2O5S2 — CID 26360357

IUPACethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C24H32N2O5S2/c1-2-30-24(27)22-9-3-4-13-25(22)18-19-7-5-8-21(17-19)31-20-11-14-26(15-12-20)33(28,29)23-10-6-16-32-23/h5-8,10,16-17,20,22H,2-4,9,11-15,18H2,1H3/t22-/m0/s1
InChIKeyAIHLWJIAWUMHDI-QFIPXVFZSA-N
MW492.66 g/mol
LogP3.90
Rot. Bonds8

About ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate

ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate (PubChem CID 26360357) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate
PubChem CID26360357
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Nameethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C24H32N2O5S2/c1-2-30-24(27)22-9-3-4-13-25(22)18-19-7-5-8-21(17-19)31-20-11-14-26(15-12-20)33(28,29)23-10-6-16-32-23/h5-8,10,16-17,20,22H,2-4,9,11-15,18H2,1H3/t22-/m0/s1
InChIKeyAIHLWJIAWUMHDI-QFIPXVFZSA-N
XLogP3.90
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]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

ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
ethyl 1-[(3-bromo-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 78915187
ethyl 1-[2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901401

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate (CID 26360357) is ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1Cc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate?
The InChIKey is AIHLWJIAWUMHDI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-2-30-24(27)22-9-3-4-13-25(22)18-19-7-5-8-21(17-19)31-20-11-14-26(15-12-20)33(28,29)23-10-6-16-32-23/h5-8,10,16-17,20,22H,2-4,9,11-15,18H2,1H3/t22-/m0/s1.
What are the key properties of ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate?
ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate has a molecular weight of 492.66 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 26360357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).