N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

C19H26N4O4S — CID 99993526

IUPACN-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1
InChIInChI=1S/C19H26N4O4S/c1-14-7-4-5-9-16(14)19-20-17(27-21-19)11-15-8-6-10-23(12-15)18(24)13-22(2)28(3,25)26/h4-5,7,9,15H,6,8,10-13H2,1-3H3/t15-/m0/s1
InChIKeyGPGOVGFUKLIRAV-HNNXBMFYSA-N
MW406.51 g/mol
LogP1.72
Rot. Bonds6

About N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 99993526) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID99993526
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1
InChIInChI=1S/C19H26N4O4S/c1-14-7-4-5-9-16(14)19-20-17(27-21-19)11-15-8-6-10-23(12-15)18(24)13-22(2)28(3,25)26/h4-5,7,9,15H,6,8,10-13H2,1-3H3/t15-/m0/s1
InChIKeyGPGOVGFUKLIRAV-HNNXBMFYSA-N
XLogP1.72
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 90641913
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 90642014
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90642052
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 91628654
5-(dithiolan-3-yl)-1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentan-1-one
CID 91628658
5-[(3R)-dithiolan-3-yl]-1-[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentan-1-one
CID 100671891
5-[(3S)-dithiolan-3-yl]-1-[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentan-1-one
CID 100671872
2-(3,4-dimethoxyphenyl)-1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641908
3-(2-methylphenyl)-5-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90642118
[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 99993504
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90641934
N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90642051

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 99993526) is N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1.
What is the InChIKey of N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is GPGOVGFUKLIRAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-14-7-4-5-9-16(14)19-20-17(27-21-19)11-15-8-6-10-23(12-15)18(24)13-22(2)28(3,25)26/h4-5,7,9,15H,6,8,10-13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 99993526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).