2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone

C15H23N3O3S — CID 119269764

IUPAC2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-3-13-4-6-14(7-5-13)22(20,21)18-10-8-17(9-11-18)15(19)12-16/h4-7H,2-3,8-12,16H2,1H3
InChIKeyUJQHIXRPKHDFQC-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.43
Rot. Bonds5

About 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone

2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 119269764) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID119269764
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-3-13-4-6-14(7-5-13)22(20,21)18-10-8-17(9-11-18)15(19)12-16/h4-7H,2-3,8-12,16H2,1H3
InChIKeyUJQHIXRPKHDFQC-UHFFFAOYSA-N
XLogP0.43
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
3-methyl-1-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110797428
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151
2-(1H-indol-3-yl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 112765357
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 119269764) is 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is UJQHIXRPKHDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-13-4-6-14(7-5-13)22(20,21)18-10-8-17(9-11-18)15(19)12-16/h4-7H,2-3,8-12,16H2,1H3.
What are the key properties of 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 119269764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).