(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide

C15H20N4O3S — CID 124605898

IUPAC(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H20N4O3S/c1-18(2)23(20,21)19-11-7-6-10-13(19)15-16-14(17-22-15)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGFXCBTJXTCYUBE-CYBMUJFWSA-N
MW336.42 g/mol
LogP2.07
Rot. Bonds4

About (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide

(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide (PubChem CID 124605898) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
PubChem CID124605898
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H20N4O3S/c1-18(2)23(20,21)19-11-7-6-10-13(19)15-16-14(17-22-15)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGFXCBTJXTCYUBE-CYBMUJFWSA-N
XLogP2.07
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 97344897
N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 75474761
5-[(2S)-1-(4-ethoxyphenyl)sulfonylpiperidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 52515333
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
3-(3-methylphenyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 42765424
5-[(2S)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071714
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
3-(3-methylphenyl)-5-(1-octylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 3324124
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
CID 111110264
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide (CID 124605898) is (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is GFXCBTJXTCYUBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(2)23(20,21)19-11-7-6-10-13(19)15-16-14(17-22-15)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide?
(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 124605898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).