1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine

C13H17N5O2S — CID 2813156

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C13H17N5O2S/c1-16-10-13(15-11-16)21(19,20)18-8-6-17(7-9-18)12-4-2-3-5-14-12/h2-5,10-11H,6-9H2,1H3
InChIKeyVENIIIMIVSWSKR-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.33
Rot. Bonds3

About 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine

1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 2813156) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID2813156
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C13H17N5O2S/c1-16-10-13(15-11-16)21(19,20)18-8-6-17(7-9-18)12-4-2-3-5-14-12/h2-5,10-11H,6-9H2,1H3
InChIKeyVENIIIMIVSWSKR-UHFFFAOYSA-N
XLogP0.33
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine (CID 2813156) is 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine is Cn1cnc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is VENIIIMIVSWSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-16-10-13(15-11-16)21(19,20)18-8-6-17(7-9-18)12-4-2-3-5-14-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 307.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2813156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).