6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one

C13H17N5O3S — CID 124983935

IUPAC6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)c1
InChIInChI=1S/C13H17N5O3S/c1-17-8-12(15-9-17)22(20,21)18-6-2-3-10(7-18)11-4-5-14-13(19)16-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,16,19)/t10-/m1/s1
InChIKeyNHGFQEMDMYWJIG-SNVBAGLBSA-N
MW323.38 g/mol
LogP0.07
Rot. Bonds3

About 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one

6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 124983935) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID124983935
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)c1
InChIInChI=1S/C13H17N5O3S/c1-17-8-12(15-9-17)22(20,21)18-6-2-3-10(7-18)11-4-5-14-13(19)16-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,16,19)/t10-/m1/s1
InChIKeyNHGFQEMDMYWJIG-SNVBAGLBSA-N
XLogP0.07
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115095
6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124955446
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115186
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one (CID 124983935) is 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one is Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)c1.
What is the InChIKey of 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is NHGFQEMDMYWJIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-17-8-12(15-9-17)22(20,21)18-6-2-3-10(7-18)11-4-5-14-13(19)16-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,16,19)/t10-/m1/s1.
What are the key properties of 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 323.38 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124983935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).