4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine

C24H30N6O2S — CID 122694460

IUPAC4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C3CCN(CC4CCNC4)CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C24H30N6O2S/c1-33(31,32)22-4-2-3-21(23(22)24-26-28-29-27-24)20-7-5-18(6-8-20)19-10-13-30(14-11-19)16-17-9-12-25-15-17/h2-8,17,19,25H,9-16H2,1H3,(H,26,27,28,29)
InChIKeyZPRWJCSFFSTMID-UHFFFAOYSA-N
MW466.61 g/mol
LogP2.73
Rot. Bonds6

About 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine

4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 122694460) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID122694460
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC Name4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C3CCN(CC4CCNC4)CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C24H30N6O2S/c1-33(31,32)22-4-2-3-21(23(22)24-26-28-29-27-24)20-7-5-18(6-8-20)19-10-13-30(14-11-19)16-17-9-12-25-15-17/h2-8,17,19,25H,9-16H2,1H3,(H,26,27,28,29)
InChIKeyZPRWJCSFFSTMID-UHFFFAOYSA-N
XLogP2.73
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)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

4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
CID 118257502
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
CID 122694052
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
CID 130230548
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine
CID 130230693
3-[4-[1-(2-hydroxyethyl)azetidin-3-yl]phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256966
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine (CID 122694460) is 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine is CS(=O)(=O)c1cccc(-c2ccc(C3CCN(CC4CCNC4)CC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is ZPRWJCSFFSTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-33(31,32)22-4-2-3-21(23(22)24-26-28-29-27-24)20-7-5-18(6-8-20)19-10-13-30(14-11-19)16-17-9-12-25-15-17/h2-8,17,19,25H,9-16H2,1H3,(H,26,27,28,29).
What are the key properties of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 466.61 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 122694460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).