2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C18H24N4O2S — CID 3316727

IUPAC2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)15-5-7-16(8-6-15)25(23,24)22-13-11-21(12-14-22)17-19-9-4-10-20-17/h4-10H,11-14H2,1-3H3
InChIKeyMEIUYTIQMHSAMM-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 3316727) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID3316727
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)15-5-7-16(8-6-15)25(23,24)22-13-11-21(12-14-22)17-19-9-4-10-20-17/h4-10H,11-14H2,1-3H3
InChIKeyMEIUYTIQMHSAMM-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 3316727) is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is MEIUYTIQMHSAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)15-5-7-16(8-6-15)25(23,24)22-13-11-21(12-14-22)17-19-9-4-10-20-17/h4-10H,11-14H2,1-3H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 360.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 3316727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).