1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine

C20H26N4O2S — CID 92619879

IUPAC1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc([C@@H]2CCCN2)n1
InChIInChI=1S/C20H26N4O2S/c1-16-14-17(15-20(22-16)19-8-5-9-21-19)23-10-12-24(13-11-23)27(25,26)18-6-3-2-4-7-18/h2-4,6-7,14-15,19,21H,5,8-13H2,1H3/t19-/m0/s1
InChIKeyCAYYPJFURDABAD-IBGZPJMESA-N
MW386.52 g/mol
LogP2.33
Rot. Bonds4

About 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine

1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine (PubChem CID 92619879) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
PubChem CID92619879
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc([C@@H]2CCCN2)n1
InChIInChI=1S/C20H26N4O2S/c1-16-14-17(15-20(22-16)19-8-5-9-21-19)23-10-12-24(13-11-23)27(25,26)18-6-3-2-4-7-18/h2-4,6-7,14-15,19,21H,5,8-13H2,1H3/t19-/m0/s1
InChIKeyCAYYPJFURDABAD-IBGZPJMESA-N
XLogP2.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine 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-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110260458
N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
CID 92619675
1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619861
N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 110260485
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619631
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908
7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56902175
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
CID 95834680
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine (CID 92619879) is 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine is Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc([C@@H]2CCCN2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The InChIKey is CAYYPJFURDABAD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-16-14-17(15-20(22-16)19-8-5-9-21-19)23-10-12-24(13-11-23)27(25,26)18-6-3-2-4-7-18/h2-4,6-7,14-15,19,21H,5,8-13H2,1H3/t19-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine has a molecular weight of 386.52 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine is sourced from PubChem (CID 92619879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).