[4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine

C20H24N4O2S — CID 58210820

IUPAC[4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCCC4)C3)n2)cc1
InChIInChI=1S/C20H24N4O2S/c21-14-16-6-8-17(9-7-16)19-4-3-5-20(22-19)27(25,26)24-13-10-18(15-24)23-11-1-2-12-23/h3-9,14,18,21H,1-2,10-13,15H2/b21-14+
InChIKeyBWBNBYZTDXMSKJ-KGENOOAVSA-N
MW384.50 g/mol
LogP2.61
Rot. Bonds5

About [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine

[4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine (PubChem CID 58210820) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine
PubChem CID58210820
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name[4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCCC4)C3)n2)cc1
InChIInChI=1S/C20H24N4O2S/c21-14-16-6-8-17(9-7-16)19-4-3-5-20(22-19)27(25,26)24-13-10-18(15-24)23-11-1-2-12-23/h3-9,14,18,21H,1-2,10-13,15H2/b21-14+
InChIKeyBWBNBYZTDXMSKJ-KGENOOAVSA-N
XLogP2.61
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine 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

N-cyclohexyl-1-[[6-(4-methanimidoylphenyl)-2-pyridinyl]sulfonyl]-N-methylpyrrolidin-3-amine
CID 58211598
[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine
CID 58211685
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-2-pyridinyl]benzonitrile
CID 58211241
4-[6-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210850
4-(6-piperidin-1-ylsulfonyl-2-pyridinyl)benzonitrile
CID 58210839
4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol
CID 135967654
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
3-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 63168396
(3S)-1-(2-chloro-3-methylphenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 97335258
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
[4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine
CID 58211257
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine?
The IUPAC name of [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine (CID 58210820) is [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine.
What is the SMILES notation for [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine?
The canonical SMILES for [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine is [H]/N=C/c1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCCC4)C3)n2)cc1.
What is the InChIKey of [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine?
The InChIKey is BWBNBYZTDXMSKJ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H24N4O2S/c21-14-16-6-8-17(9-7-16)19-4-3-5-20(22-19)27(25,26)24-13-10-18(15-24)23-11-1-2-12-23/h3-9,14,18,21H,1-2,10-13,15H2/b21-14+.
What are the key properties of [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine?
[4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine has a molecular weight of 384.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]phenyl]methanimine is sourced from PubChem (CID 58210820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).