N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide

C16H21ClN4O3S — CID 33416941

IUPACN-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-14-7-2-3-8-21(14)11-15-19-16(20-24-15)12-5-4-6-13(17)9-12/h4-6,9,14,18H,2-3,7-8,10-11H2,1H3/t14-/m1/s1
InChIKeyDABSJQXYBNHLEG-CQSZACIVSA-N
MW384.89 g/mol
LogP2.29
Rot. Bonds6

About N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 33416941) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID33416941
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC NameN-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-14-7-2-3-8-21(14)11-15-19-16(20-24-15)12-5-4-6-13(17)9-12/h4-6,9,14,18H,2-3,7-8,10-11H2,1H3/t14-/m1/s1
InChIKeyDABSJQXYBNHLEG-CQSZACIVSA-N
XLogP2.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031664
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
N-butyl-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934210
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43934078
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
N-(3-acetamidophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934264
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide (CID 33416941) is N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is DABSJQXYBNHLEG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-14-7-2-3-8-21(14)11-15-19-16(20-24-15)12-5-4-6-13(17)9-12/h4-6,9,14,18H,2-3,7-8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 33416941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).