5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide

C8H10N4O3S2 — CID 106081269

IUPAC5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nncs2)o1
InChIInChI=1S/C8H10N4O3S2/c1-9-4-6-2-3-7(15-6)17(13,14)12-8-11-10-5-16-8/h2-3,5,9H,4H2,1H3,(H,11,12)
InChIKeyIPXAYIUZCBIIRL-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.65
Rot. Bonds5

About 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide

5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide (PubChem CID 106081269) has the molecular formula C8H10N4O3S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
PubChem CID106081269
Molecular FormulaC8H10N4O3S2
Molecular Weight274.33 g/mol
Exact Mass274.02
IUPAC Name5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nncs2)o1
InChIInChI=1S/C8H10N4O3S2/c1-9-4-6-2-3-7(15-6)17(13,14)12-8-11-10-5-16-8/h2-3,5,9H,4H2,1H3,(H,11,12)
InChIKeyIPXAYIUZCBIIRL-UHFFFAOYSA-N
XLogP0.65
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106053376
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081043
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003729
5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932
4-ethoxy-3-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081343
4-[3-(methylamino)propyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081042
N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106073903
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide (CID 106081269) is 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2nncs2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide?
The InChIKey is IPXAYIUZCBIIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S2/c1-9-4-6-2-3-7(15-6)17(13,14)12-8-11-10-5-16-8/h2-3,5,9H,4H2,1H3,(H,11,12).
What are the key properties of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide?
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide has a molecular weight of 274.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 106081269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).