1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone

C15H24N4O3S — CID 154785925

IUPAC1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
SMILESCCCCNc1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C15H24N4O3S/c1-3-4-8-16-14-6-5-7-15(17-14)23(21,22)19-11-9-18(10-12-19)13(2)20/h5-7H,3-4,8-12H2,1-2H3,(H,16,17)
InChIKeyPATABNNVDMYSII-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.15
Rot. Bonds6

About 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone

1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone (PubChem CID 154785925) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
PubChem CID154785925
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
SMILESCCCCNc1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C15H24N4O3S/c1-3-4-8-16-14-6-5-7-15(17-14)23(21,22)19-11-9-18(10-12-19)13(2)20/h5-7H,3-4,8-12H2,1-2H3,(H,16,17)
InChIKeyPATABNNVDMYSII-UHFFFAOYSA-N
XLogP1.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone (CID 154785925) is 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone is CCCCNc1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
The InChIKey is PATABNNVDMYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-3-4-8-16-14-6-5-7-15(17-14)23(21,22)19-11-9-18(10-12-19)13(2)20/h5-7H,3-4,8-12H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone?
1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone has a molecular weight of 340.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(butylamino)-2-pyridinyl]sulfonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 154785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).