N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide

C16H24N6O4S — CID 128995654

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCCc1noc(CN(C2CCCN(c3cc(C)nn3C)C2=O)S(C)(=O)=O)n1
InChIInChI=1S/C16H24N6O4S/c1-5-13-17-14(26-19-13)10-22(27(4,24)25)12-7-6-8-21(16(12)23)15-9-11(2)18-20(15)3/h9,12H,5-8,10H2,1-4H3
InChIKeyRFGMXXSTUBALQX-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.63
Rot. Bonds6

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (PubChem CID 128995654) has the molecular formula C16H24N6O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
PubChem CID128995654
Molecular FormulaC16H24N6O4S
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCCc1noc(CN(C2CCCN(c3cc(C)nn3C)C2=O)S(C)(=O)=O)n1
InChIInChI=1S/C16H24N6O4S/c1-5-13-17-14(26-19-13)10-22(27(4,24)25)12-7-6-8-21(16(12)23)15-9-11(2)18-20(15)3/h9,12H,5-8,10H2,1-4H3
InChIKeyRFGMXXSTUBALQX-UHFFFAOYSA-N
XLogP0.63
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (CID 128995654) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is CCc1noc(CN(C2CCCN(c3cc(C)nn3C)C2=O)S(C)(=O)=O)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The InChIKey is RFGMXXSTUBALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4S/c1-5-13-17-14(26-19-13)10-22(27(4,24)25)12-7-6-8-21(16(12)23)15-9-11(2)18-20(15)3/h9,12H,5-8,10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 128995654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).