2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C9H14N4O2S — CID 841759

IUPAC2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)13-7-5-12(6-8-13)9-10-3-2-4-11-9/h2-4H,5-8H2,1H3
InChIKeyWJAQMHVKRHWMJF-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.44
Rot. Bonds2

About 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 841759) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID841759
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)13-7-5-12(6-8-13)9-10-3-2-4-11-9/h2-4H,5-8H2,1H3
InChIKeyWJAQMHVKRHWMJF-UHFFFAOYSA-N
XLogP-0.44
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 841759) is 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is CS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is WJAQMHVKRHWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-16(14,15)13-7-5-12(6-8-13)9-10-3-2-4-11-9/h2-4H,5-8H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
2-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 242.30 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 841759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).