1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine

C15H25N5O2S — CID 102538674

IUPAC1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
SMILESCCN1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1
InChIInChI=1S/C15H25N5O2S/c1-2-18-9-11-20(12-10-18)23(21,22)15-13-17-4-3-14(15)19-7-5-16-6-8-19/h3-4,13,16H,2,5-12H2,1H3
InChIKeyRTKGLXKDLJWRDV-UHFFFAOYSA-N
MW339.47 g/mol
LogP-0.18
Rot. Bonds4

About 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine

1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine (PubChem CID 102538674) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
PubChem CID102538674
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
SMILESCCN1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1
InChIInChI=1S/C15H25N5O2S/c1-2-18-9-11-20(12-10-18)23(21,22)15-13-17-4-3-14(15)19-7-5-16-6-8-19/h3-4,13,16H,2,5-12H2,1H3
InChIKeyRTKGLXKDLJWRDV-UHFFFAOYSA-N
XLogP-0.18
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine (CID 102538674) is 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine is CCN1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine?
The InChIKey is RTKGLXKDLJWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-2-18-9-11-20(12-10-18)23(21,22)15-13-17-4-3-14(15)19-7-5-16-6-8-19/h3-4,13,16H,2,5-12H2,1H3.
What are the key properties of 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine?
1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine has a molecular weight of 339.47 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine is sourced from PubChem (CID 102538674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).