2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine

C18H20N4O2S — CID 664590

IUPAC2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine
SMILESCC1CCCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C1
InChIInChI=1S/C18H20N4O2S/c1-14-5-3-10-22(12-14)25(23,24)16-7-2-6-15(11-16)17-13-21-9-4-8-19-18(21)20-17/h2,4,6-9,11,13-14H,3,5,10,12H2,1H3
InChIKeyCKDLJUODNZEPMS-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.82
Rot. Bonds3

About 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine

2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine (PubChem CID 664590) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine
PubChem CID664590
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine
SMILESCC1CCCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C1
InChIInChI=1S/C18H20N4O2S/c1-14-5-3-10-22(12-14)25(23,24)16-7-2-6-15(11-16)17-13-21-9-4-8-19-18(21)20-17/h2,4,6-9,11,13-14H,3,5,10,12H2,1H3
InChIKeyCKDLJUODNZEPMS-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 938226
7-methyl-2-[3-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]imidazo[1,2-a]pyridine
CID 7903354
6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine
CID 3823159
8-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 935997
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
N-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 55044279
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[[[4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701593
N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701479
2-[1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 3223527
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine (CID 664590) is 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine is CC1CCCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C1.
What is the InChIKey of 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is CKDLJUODNZEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-5-3-10-22(12-14)25(23,24)16-7-2-6-15(11-16)17-13-21-9-4-8-19-18(21)20-17/h2,4,6-9,11,13-14H,3,5,10,12H2,1H3.
What are the key properties of 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine?
2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 356.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 664590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).