4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine

C26H30N2O2S2 — CID 54340655

IUPAC4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine
SMILESO=S(=O)(c1cccs1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C26H30N2O2S2/c29-32(30,26-12-7-17-31-26)28-19-24(25(20-28)23-10-5-2-6-11-23)18-27-15-13-22(14-16-27)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2
InChIKeyTYSALHKXSHZEMC-UHFFFAOYSA-N
MW466.67 g/mol
LogP5.03
Rot. Bonds6

About 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine

4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 54340655) has the molecular formula C26H30N2O2S2 and a molecular weight of 466.67 g/mol. Its IUPAC name is 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine
PubChem CID54340655
Molecular FormulaC26H30N2O2S2
Molecular Weight466.67 g/mol
Exact Mass466.17
IUPAC Name4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine
SMILESO=S(=O)(c1cccs1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C26H30N2O2S2/c29-32(30,26-12-7-17-31-26)28-19-24(25(20-28)23-10-5-2-6-11-23)18-27-15-13-22(14-16-27)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2
InChIKeyTYSALHKXSHZEMC-UHFFFAOYSA-N
XLogP5.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine 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

(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
CID 60924806
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
CID 110410428
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine (CID 54340655) is 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine is O=S(=O)(c1cccs1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is TYSALHKXSHZEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S2/c29-32(30,26-12-7-17-31-26)28-19-24(25(20-28)23-10-5-2-6-11-23)18-27-15-13-22(14-16-27)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2.
What are the key properties of 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine?
4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 466.67 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 54340655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).