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

C14H26N4O3S — CID 47053532

IUPACN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1nc(CN2CCCCC2CNS(C)(=O)=O)no1
InChIInChI=1S/C14H26N4O3S/c1-14(2,3)13-16-12(17-21-13)10-18-8-6-5-7-11(18)9-15-22(4,19)20/h11,15H,5-10H2,1-4H3
InChIKeyHBCHSSATYWPFNN-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.27
Rot. Bonds5

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

N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 47053532) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID47053532
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1nc(CN2CCCCC2CNS(C)(=O)=O)no1
InChIInChI=1S/C14H26N4O3S/c1-14(2,3)13-16-12(17-21-13)10-18-8-6-5-7-11(18)9-15-22(4,19)20/h11,15H,5-10H2,1-4H3
InChIKeyHBCHSSATYWPFNN-UHFFFAOYSA-N
XLogP1.27
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94032700
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369742
3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467458
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531
(4aR,8aS)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100905127
(4aS,8aS)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94171696
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 63855124
N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 33416941
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111815806

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide (CID 47053532) is N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide is CC(C)(C)c1nc(CN2CCCCC2CNS(C)(=O)=O)no1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is HBCHSSATYWPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-14(2,3)13-16-12(17-21-13)10-18-8-6-5-7-11(18)9-15-22(4,19)20/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47053532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).