1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine

C24H32N2O2S — CID 24886368

IUPAC1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C24H32N2O2S/c1-20-6-5-16-25(20)19-15-21-7-9-22(10-8-21)23-11-13-24(14-12-23)29(27,28)26-17-3-2-4-18-26/h7-14,20H,2-6,15-19H2,1H3/t20-/m1/s1
InChIKeyNYXNXOSWSITQDA-HXUWFJFHSA-N
MW412.60 g/mol
LogP4.55
Rot. Bonds6

About 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine

1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine (PubChem CID 24886368) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
PubChem CID24886368
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C24H32N2O2S/c1-20-6-5-16-25(20)19-15-21-7-9-22(10-8-21)23-11-13-24(14-12-23)29(27,28)26-17-3-2-4-18-26/h7-14,20H,2-6,15-19H2,1H3/t20-/m1/s1
InChIKeyNYXNXOSWSITQDA-HXUWFJFHSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine 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'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
SB-258741
CID 9863250
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
[1,1'-Biphenyl]-4-sulfonamide, 4'-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-N-(tetrahydro-2H-pyran-4-yl)-
CID 24884554
2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,3-dihydroisoindole
CID 24885251
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,4-thiazinane 1,1-dioxide
CID 24885255
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
4-{4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-morpholine
CID 24886365
(R)-1-[2-(4'-Cyclopentanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24897021
(R)-1-[2-(4'-Ethanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24900017
(R)-2-Methyl-1-{2-[4'-(propane-1-sulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
CID 24900020
(R)-2-Methyl-1-[2-(4'-phenylmethanesulfonyl-biphenyl-4-yl)-ethyl]-pyrrolidine
CID 24900258

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine?
The IUPAC name of 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine (CID 24886368) is 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine?
The InChIKey is NYXNXOSWSITQDA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-20-6-5-16-25(20)19-15-21-7-9-22(10-8-21)23-11-13-24(14-12-23)29(27,28)26-17-3-2-4-18-26/h7-14,20H,2-6,15-19H2,1H3/t20-/m1/s1.
What are the key properties of 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine?
1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine has a molecular weight of 412.60 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine is sourced from PubChem (CID 24886368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).