1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine

C17H27N3O2S — CID 175097889

IUPAC1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine
SMILESCCN1CCCC1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H27N3O2S/c1-3-18-10-4-5-17(18)15-6-8-16(9-7-15)19-11-13-20(14-12-19)23(2,21)22/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyCQAAUJKICJCULK-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine

1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine (PubChem CID 175097889) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine
PubChem CID175097889
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine
SMILESCCN1CCCC1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H27N3O2S/c1-3-18-10-4-5-17(18)15-6-8-16(9-7-15)19-11-13-20(14-12-19)23(2,21)22/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyCQAAUJKICJCULK-UHFFFAOYSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine 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

ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
1-ethyl-2-phenylazepane
CID 59678181
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
ethyl 4-(4-methylsulfonylpiperazin-1-yl)benzoate
CID 110672935
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
tert-butyl 2-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155777516
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
2-(1-ethylpiperidin-2-yl)anthracene-9,10-dione
CID 175271682
(3aS,6aR)-3a,6a-dimethyl-5-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 146613422
(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
CID 97332250
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine (CID 175097889) is 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine is CCN1CCCC1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine?
The InChIKey is CQAAUJKICJCULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-18-10-4-5-17(18)15-6-8-16(9-7-15)19-11-13-20(14-12-19)23(2,21)22/h6-9,17H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine?
1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine has a molecular weight of 337.49 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylpyrrolidin-2-yl)phenyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 175097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).