1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide

C13H18N4O3S — CID 106410779

IUPAC1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NCc2noc(C)n2)cc1
InChIInChI=1S/C13H18N4O3S/c1-10-16-13(17-20-10)8-15-21(18,19)9-12-5-3-11(4-6-12)7-14-2/h3-6,14-15H,7-9H2,1-2H3
InChIKeyNBTBQVSIOSWEQB-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.72
Rot. Bonds7

About 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide

1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide (PubChem CID 106410779) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
PubChem CID106410779
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NCc2noc(C)n2)cc1
InChIInChI=1S/C13H18N4O3S/c1-10-16-13(17-20-10)8-15-21(18,19)9-12-5-3-11(4-6-12)7-14-2/h3-6,14-15H,7-9H2,1-2H3
InChIKeyNBTBQVSIOSWEQB-UHFFFAOYSA-N
XLogP0.72
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410708
1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 46970053
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 106399385
1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide
CID 106051685
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 114183282
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide (CID 106410779) is 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide is CNCc1ccc(CS(=O)(=O)NCc2noc(C)n2)cc1.
What is the InChIKey of 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The InChIKey is NBTBQVSIOSWEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-10-16-13(17-20-10)8-15-21(18,19)9-12-5-3-11(4-6-12)7-14-2/h3-6,14-15H,7-9H2,1-2H3.
What are the key properties of 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 106410779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).