2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C20H26N4O2S — CID 1316259

IUPAC2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N4O2S/c25-27(26,19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-15-13-23(14-16-24)20-21-11-4-12-22-20/h4,7-12,17H,1-3,5-6,13-16H2
InChIKeyKGSMVTGOYFHCRJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.04
Rot. Bonds4

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

2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 1316259) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID1316259
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N4O2S/c25-27(26,19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-15-13-23(14-16-24)20-21-11-4-12-22-20/h4,7-12,17H,1-3,5-6,13-16H2
InChIKeyKGSMVTGOYFHCRJ-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 1316259) is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is KGSMVTGOYFHCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c25-27(26,19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-15-13-23(14-16-24)20-21-11-4-12-22-20/h4,7-12,17H,1-3,5-6,13-16H2.
What are the key properties of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 386.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 1316259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).