[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C19H28N2O4S — CID 6465848

IUPAC[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-2-3-5-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)19(22)18-6-4-15-25-18/h7-10,18H,2-6,11-15H2,1H3
InChIKeyOPMPVIRDJLMLFW-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.04
Rot. Bonds6

About [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 6465848) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID6465848
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-2-3-5-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)19(22)18-6-4-15-25-18/h7-10,18H,2-6,11-15H2,1H3
InChIKeyOPMPVIRDJLMLFW-UHFFFAOYSA-N
XLogP2.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
N,N-dimethyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 16278252
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
4-({4-[3-Oxo-3-(1-pyrrolidinyl)propyl]phenyl}sulfonyl)morpholine
CID 2374147
1-(Phenylsulfonyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970319
[2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717281
4-[(4-Fluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17377878
1-[(4-methylphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2955285
N-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 2961332
N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 3155150
3-(4-Propylsulfamoyl-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 653232
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2950846

Frequently Asked Questions

What is the IUPAC name of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 6465848) is [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is OPMPVIRDJLMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-2-3-5-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)19(22)18-6-4-15-25-18/h7-10,18H,2-6,11-15H2,1H3.
What are the key properties of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 6465848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).