1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine

C15H23N3O2S — CID 110705779

IUPAC1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C15H23N3O2S/c1-14-5-4-6-15(13-14)16-9-11-18(12-10-16)21(19,20)17-7-2-3-8-17/h4-6,13H,2-3,7-12H2,1H3
InChIKeyGSXLZDZHZDSHJY-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.46
Rot. Bonds3

About 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine

1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 110705779) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID110705779
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C15H23N3O2S/c1-14-5-4-6-15(13-14)16-9-11-18(12-10-16)21(19,20)17-7-2-3-8-17/h4-6,13H,2-3,7-12H2,1H3
InChIKeyGSXLZDZHZDSHJY-UHFFFAOYSA-N
XLogP1.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine 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-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
CID 27305949

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine (CID 110705779) is 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is GSXLZDZHZDSHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-14-5-4-6-15(13-14)16-9-11-18(12-10-16)21(19,20)17-7-2-3-8-17/h4-6,13H,2-3,7-12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 309.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 110705779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).