4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide

C11H16N4O3S2 — CID 106411268

IUPAC4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCCc2ncon2)cc1C
InChIInChI=1S/C11H16N4O3S2/c1-8-5-11(19-9(8)6-12-2)20(16,17)14-4-3-10-13-7-18-15-10/h5,7,12,14H,3-4,6H2,1-2H3
InChIKeyWJVADQXCTGLNRM-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.68
Rot. Bonds7

About 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106411268) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106411268
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCCc2ncon2)cc1C
InChIInChI=1S/C11H16N4O3S2/c1-8-5-11(19-9(8)6-12-2)20(16,17)14-4-3-10-13-7-18-15-10/h5,7,12,14H,3-4,6H2,1-2H3
InChIKeyWJVADQXCTGLNRM-UHFFFAOYSA-N
XLogP0.68
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106410852
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095002
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439
4-methyl-5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 106068124
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106064620
N-(3-imidazol-1-ylpropyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029752
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
3-(methylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 106408023
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide (CID 106411268) is 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NCCc2ncon2)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WJVADQXCTGLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-8-5-11(19-9(8)6-12-2)20(16,17)14-4-3-10-13-7-18-15-10/h5,7,12,14H,3-4,6H2,1-2H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 316.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106411268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).