cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H28N2O3S — CID 2635741

IUPACcyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)c1C
InChIInChI=1S/C19H28N2O3S/c1-13-12-14(2)16(4)18(15(13)3)25(23,24)21-10-8-20(9-11-21)19(22)17-6-5-7-17/h12,17H,5-11H2,1-4H3
InChIKeySJWQJLGVHRIXDU-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.55
Rot. Bonds3

About cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2635741) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2635741
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Namecyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)c1C
InChIInChI=1S/C19H28N2O3S/c1-13-12-14(2)16(4)18(15(13)3)25(23,24)21-10-8-20(9-11-21)19(22)17-6-5-7-17/h12,17H,5-11H2,1-4H3
InChIKeySJWQJLGVHRIXDU-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 17395891
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622
4-(4-Tert-butylphenylsulfonyl)-2-cyclobutylpiperazine-1-carbaldehyde
CID 9441303
Cyclopentyl{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}methanone
CID 3346738
1-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 7921426
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
1-Morpholin-4-yl-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 2477744
Pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4806787
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 7661828

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2635741) is cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)c1C.
What is the InChIKey of cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is SJWQJLGVHRIXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-13-12-14(2)16(4)18(15(13)3)25(23,24)21-10-8-20(9-11-21)19(22)17-6-5-7-17/h12,17H,5-11H2,1-4H3.
What are the key properties of cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2635741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).