2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone

C16H25N3O3S — CID 119265641

IUPAC2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CN)CC2)c1C
InChIInChI=1S/C16H25N3O3S/c1-11-9-12(2)14(4)16(13(11)3)23(21,22)19-7-5-18(6-8-19)15(20)10-17/h9H,5-8,10,17H2,1-4H3
InChIKeyWBYQDBNVLUXJLL-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.71
Rot. Bonds3

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

2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 119265641) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID119265641
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CN)CC2)c1C
InChIInChI=1S/C16H25N3O3S/c1-11-9-12(2)14(4)16(13(11)3)23(21,22)19-7-5-18(6-8-19)15(20)10-17/h9H,5-8,10,17H2,1-4H3
InChIKeyWBYQDBNVLUXJLL-UHFFFAOYSA-N
XLogP0.71
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] 2-ethoxyacetate
CID 9289619
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
3-(2-methylpropoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39271680
4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
CID 55403236
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 38073079
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 38073776
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 2688191
N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 35677124
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 119265641) is 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CN)CC2)c1C.
What is the InChIKey of 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is WBYQDBNVLUXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-9-12(2)14(4)16(13(11)3)23(21,22)19-7-5-18(6-8-19)15(20)10-17/h9H,5-8,10,17H2,1-4H3.
What are the key properties of 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 339.46 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 119265641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).