1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone

C18H29N3O3S — CID 51224909

IUPAC1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-5-15(2)16-6-8-17(9-7-16)25(23,24)21-12-10-20(11-13-21)18(22)14-19(3)4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyQUUMXIFIJILUCT-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.59
Rot. Bonds6

About 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 51224909) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID51224909
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-5-15(2)16-6-8-17(9-7-16)25(23,24)21-12-10-20(11-13-21)18(22)14-19(3)4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyQUUMXIFIJILUCT-UHFFFAOYSA-N
XLogP1.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone 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

[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120586981
1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 2466148
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
1-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 9155292
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119684565
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 112794619
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone (CID 51224909) is 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is QUUMXIFIJILUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-15(2)16-6-8-17(9-7-16)25(23,24)21-12-10-20(11-13-21)18(22)14-19(3)4/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 367.52 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 51224909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).