7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine

C18H20N4O2S — CID 110118141

IUPAC7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C2CCCCN2S(=O)(=O)c2ccccc2)nc2nccn12
InChIInChI=1S/C18H20N4O2S/c1-14-13-16(20-18-19-10-12-21(14)18)17-9-5-6-11-22(17)25(23,24)15-7-3-2-4-8-15/h2-4,7-8,10,12-13,17H,5-6,9,11H2,1H3
InChIKeyCCTSOLVIXKMYRH-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.95
Rot. Bonds3

About 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine

7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine (PubChem CID 110118141) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine
PubChem CID110118141
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C2CCCCN2S(=O)(=O)c2ccccc2)nc2nccn12
InChIInChI=1S/C18H20N4O2S/c1-14-13-16(20-18-19-10-12-21(14)18)17-9-5-6-11-22(17)25(23,24)15-7-3-2-4-8-15/h2-4,7-8,10,12-13,17H,5-6,9,11H2,1H3
InChIKeyCCTSOLVIXKMYRH-UHFFFAOYSA-N
XLogP2.95
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine (CID 110118141) is 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine is Cc1cc(C2CCCCN2S(=O)(=O)c2ccccc2)nc2nccn12.
What is the InChIKey of 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine?
The InChIKey is CCTSOLVIXKMYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-13-16(20-18-19-10-12-21(14)18)17-9-5-6-11-22(17)25(23,24)15-7-3-2-4-8-15/h2-4,7-8,10,12-13,17H,5-6,9,11H2,1H3.
What are the key properties of 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine?
7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine has a molecular weight of 356.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 110118141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).