3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C15H23N3O3S — CID 119678301

IUPAC3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-15(2,12-16)14(19)17-8-10-18(11-9-17)22(20,21)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyCSWOHCUNKSSVGO-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.50
Rot. Bonds4

About 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 119678301) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID119678301
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-15(2,12-16)14(19)17-8-10-18(11-9-17)22(20,21)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyCSWOHCUNKSSVGO-UHFFFAOYSA-N
XLogP0.50
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797764
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
2-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone
CID 98781730
3-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119302930
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200
4-(benzenesulfonyl)piperazine-1-carbothioamide
CID 2052028
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-bromopropan-1-one
CID 107903486
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
3-(2-aminophenyl)-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one
CID 120608007
2-adamantyl-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 51191881
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 119678301) is 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CSWOHCUNKSSVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,12-16)14(19)17-8-10-18(11-9-17)22(20,21)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3.
What are the key properties of 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 325.43 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 119678301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).