3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine

C14H18F2N4O2S — CID 141336148

IUPAC3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1nc2ncccn2c1S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O2S/c1-10(2)11-12(20-7-3-6-17-13(20)18-11)23(21,22)19-8-4-14(15,16)5-9-19/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyQHYHXHRCSLQMRH-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.27
Rot. Bonds3

About 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine

3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine (PubChem CID 141336148) has the molecular formula C14H18F2N4O2S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
PubChem CID141336148
Molecular FormulaC14H18F2N4O2S
Molecular Weight344.39 g/mol
Exact Mass344.11
IUPAC Name3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1nc2ncccn2c1S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O2S/c1-10(2)11-12(20-7-3-6-17-13(20)18-11)23(21,22)19-8-4-14(15,16)5-9-19/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyQHYHXHRCSLQMRH-UHFFFAOYSA-N
XLogP2.27
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631574
4-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine
CID 95824699
1-methyl-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1H-imidazole-4-sulfonamide
CID 119102241
7-Chloro-3-(4,4-difluoropiperidin-1-ylsulfonyl)-2-isopropylimidazo[1,2-c]pyrimidine
CID 86710139
1-methyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-(propan-2-yl)-1H-imidazole-4-sulfonamide
CID 126853577
N-cyclopropyl-N-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890832
2-[(1-{[1-methyl-2-(propan-2-yl)-1H-imidazol-4-yl]sulfonyl}piperidin-4-yl)oxy]-4-(trifluoromethyl)pyrimidine
CID 139029341
2-Methylimidazo[1,2-a]pyrimidine-3-sulfonamide
CID 14422557
2-Propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride
CID 141336142
3,5-Dimethylimidazo[1,2-a]pyrimidine-2-sulfonamide
CID 141794650
2-[[1-(1-Methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine
CID 95824743
4-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 110090033

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine (CID 141336148) is 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine is CC(C)c1nc2ncccn2c1S(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The InChIKey is QHYHXHRCSLQMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2S/c1-10(2)11-12(20-7-3-6-17-13(20)18-11)23(21,22)19-8-4-14(15,16)5-9-19/h3,6-7,10H,4-5,8-9H2,1-2H3.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine has a molecular weight of 344.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 141336148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).