1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine

C24H32N2O2S — CID 21048764

IUPAC1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CCCC3(S(=O)(=O)c4ccccc4)CCC3)CC2)cc1
InChIInChI=1S/C24H32N2O2S/c1-21-9-11-22(12-10-21)26-19-17-25(18-20-26)16-6-15-24(13-5-14-24)29(27,28)23-7-3-2-4-8-23/h2-4,7-12H,5-6,13-20H2,1H3
InChIKeyMDLDJWUCVHNGAH-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.29
Rot. Bonds7

About 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine (PubChem CID 21048764) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine
PubChem CID21048764
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CCCC3(S(=O)(=O)c4ccccc4)CCC3)CC2)cc1
InChIInChI=1S/C24H32N2O2S/c1-21-9-11-22(12-10-21)26-19-17-25(18-20-26)16-6-15-24(13-5-14-24)29(27,28)23-7-3-2-4-8-23/h2-4,7-12H,5-6,13-20H2,1H3
InChIKeyMDLDJWUCVHNGAH-UHFFFAOYSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
CID 21048744
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine
CID 21048741
2-[4-[1-(benzenesulfonyl)cyclobutyl]butyl]-3,4-dihydro-1H-isoquinoline
CID 21048858
[1-[3-[1-(3-methylphenyl)sulfonylcyclobutyl]propyl]piperidin-4-yl]-phenylmethanone
CID 21048775
2-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 21048890
4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
CID 53237216
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
2-hydroxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 15458689
2-amino-3-[3-[4-(4-methylphenyl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 143764711
1-methyl-4-(1-octylcyclopropyl)sulfonylbenzene
CID 10448022
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine (CID 21048764) is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(CCCC3(S(=O)(=O)c4ccccc4)CCC3)CC2)cc1.
What is the InChIKey of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine?
The InChIKey is MDLDJWUCVHNGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-21-9-11-22(12-10-21)26-19-17-25(18-20-26)16-6-15-24(13-5-14-24)29(27,28)23-7-3-2-4-8-23/h2-4,7-12H,5-6,13-20H2,1H3.
What are the key properties of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine?
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine has a molecular weight of 412.60 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 21048764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).