[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone

C19H28N2O3S — CID 9441303

IUPAC[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-19(2,3)16-7-9-17(10-8-16)25(23,24)21-13-11-20(12-14-21)18(22)15-5-4-6-15/h7-10,15H,4-6,11-14H2,1-3H3
InChIKeyPKUBWZPVQIZHRR-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.62
Rot. Bonds3

About [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone (PubChem CID 9441303) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
PubChem CID9441303
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-19(2,3)16-7-9-17(10-8-16)25(23,24)21-13-11-20(12-14-21)18(22)15-5-4-6-15/h7-10,15H,4-6,11-14H2,1-3H3
InChIKeyPKUBWZPVQIZHRR-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 9357145
3,3-Dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
CID 653436
2-{[(4-Methylphenyl)sulfonyl]amino}-1-(4-methylpiperidyl)ethan-1-one
CID 801369
N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1006987

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone (CID 9441303) is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The InChIKey is PKUBWZPVQIZHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-19(2,3)16-7-9-17(10-8-16)25(23,24)21-13-11-20(12-14-21)18(22)15-5-4-6-15/h7-10,15H,4-6,11-14H2,1-3H3.
What are the key properties of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone has a molecular weight of 364.51 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 9441303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).