N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide

C15H26N4O4S — CID 92634423

IUPACN-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCCc1noc(CCC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)n1
InChIInChI=1S/C15H26N4O4S/c1-3-13-17-14(23-18-13)7-8-15(20)19-11-5-4-6-12(19)9-10-16-24(2,21)22/h12,16H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyNTBDYKJMCZHBLL-LBPRGKRZSA-N
MW358.46 g/mol
LogP0.88
Rot. Bonds8

About N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 92634423) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID92634423
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC NameN-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCCc1noc(CCC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)n1
InChIInChI=1S/C15H26N4O4S/c1-3-13-17-14(23-18-13)7-8-15(20)19-11-5-4-6-12(19)9-10-16-24(2,21)22/h12,16H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyNTBDYKJMCZHBLL-LBPRGKRZSA-N
XLogP0.88
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 66262063
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95347041
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
3-[(2S)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681947
3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681946
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
3-amino-N-[[1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579941
N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 60964211

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 92634423) is N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide is CCc1noc(CCC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is NTBDYKJMCZHBLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-3-13-17-14(23-18-13)7-8-15(20)19-11-5-4-6-12(19)9-10-16-24(2,21)22/h12,16H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 92634423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).