N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide

C11H20N4O2S — CID 91839367

IUPACN-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1nc(CSC)no1
InChIInChI=1S/C11H20N4O2S/c1-8(5-10(16)12-2)15(3)6-11-13-9(7-18-4)14-17-11/h8H,5-7H2,1-4H3,(H,12,16)
InChIKeyXIDPOGPHWUESPD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds7

About N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide

N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide (PubChem CID 91839367) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide
PubChem CID91839367
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1nc(CSC)no1
InChIInChI=1S/C11H20N4O2S/c1-8(5-10(16)12-2)15(3)6-11-13-9(7-18-4)14-17-11/h8H,5-7H2,1-4H3,(H,12,16)
InChIKeyXIDPOGPHWUESPD-UHFFFAOYSA-N
XLogP0.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide?
The IUPAC name of N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide (CID 91839367) is N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide.
What is the SMILES notation for N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide?
The canonical SMILES for N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide is CNC(=O)CC(C)N(C)Cc1nc(CSC)no1.
What is the InChIKey of N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide?
The InChIKey is XIDPOGPHWUESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8(5-10(16)12-2)15(3)6-11-13-9(7-18-4)14-17-11/h8H,5-7H2,1-4H3,(H,12,16).
What are the key properties of N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide?
N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanamide is sourced from PubChem (CID 91839367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).