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

C9H12N4O3S2 — CID 106411040

IUPAC5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ncon2)s1
InChIInChI=1S/C9H12N4O3S2/c1-10-4-7-2-3-9(17-7)18(14,15)12-5-8-11-6-16-13-8/h2-3,6,10,12H,4-5H2,1H3
InChIKeyHIQGEOLKKBZPMW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.33
Rot. Bonds6

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

5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106411040) has the molecular formula C9H12N4O3S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106411040
Molecular FormulaC9H12N4O3S2
Molecular Weight288.35 g/mol
Exact Mass288.04
IUPAC Name5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ncon2)s1
InChIInChI=1S/C9H12N4O3S2/c1-10-4-7-2-3-9(17-7)18(14,15)12-5-8-11-6-16-13-8/h2-3,6,10,12H,4-5H2,1H3
InChIKeyHIQGEOLKKBZPMW-UHFFFAOYSA-N
XLogP0.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.33
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-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106093491
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
2,4-difluoro-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410999
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81174323
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106411268
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide (CID 106411040) is 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCc2ncon2)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is HIQGEOLKKBZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S2/c1-10-4-7-2-3-9(17-7)18(14,15)12-5-8-11-6-16-13-8/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 288.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106411040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).