[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

C15H23N5O3S — CID 55652947

IUPAC[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1
InChIInChI=1S/C15H23N5O3S/c1-17-6-10-19(11-7-17)24(22,23)20-12-8-18(9-13-20)15(21)14-4-2-3-5-16-14/h2-5H,6-13H2,1H3
InChIKeyCAOWBYXWJHECNF-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.67
Rot. Bonds3

About [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 55652947) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID55652947
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1
InChIInChI=1S/C15H23N5O3S/c1-17-6-10-19(11-7-17)24(22,23)20-12-8-18(9-13-20)15(21)14-4-2-3-5-16-14/h2-5H,6-13H2,1H3
InChIKeyCAOWBYXWJHECNF-UHFFFAOYSA-N
XLogP-0.67
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 55652947) is [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is CAOWBYXWJHECNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-17-6-10-19(11-7-17)24(22,23)20-12-8-18(9-13-20)15(21)14-4-2-3-5-16-14/h2-5H,6-13H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 55652947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).