4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide

C10H14N4O3S2 — CID 106410852

IUPAC4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCc2ncon2)cc1C
InChIInChI=1S/C10H14N4O3S2/c1-7-3-10(18-8(7)4-11-2)19(15,16)13-5-9-12-6-17-14-9/h3,6,11,13H,4-5H2,1-2H3
InChIKeyAWLBNTBVSWNRSZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.64
Rot. Bonds6

About 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106410852) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106410852
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCc2ncon2)cc1C
InChIInChI=1S/C10H14N4O3S2/c1-7-3-10(18-8(7)4-11-2)19(15,16)13-5-9-12-6-17-14-9/h3,6,11,13H,4-5H2,1-2H3
InChIKeyAWLBNTBVSWNRSZ-UHFFFAOYSA-N
XLogP0.64
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106411268
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
5-(aminomethyl)-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410762
4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
4-methyl-5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 106068124

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide (CID 106410852) is 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NCc2ncon2)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is AWLBNTBVSWNRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-7-3-10(18-8(7)4-11-2)19(15,16)13-5-9-12-6-17-14-9/h3,6,11,13H,4-5H2,1-2H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.64, 6 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-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106410852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).