3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide

C10H13N3O3S2 — CID 167776525

IUPAC3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide
SMILESCc1cc(CNCc2ccsc2S(N)(=O)=O)no1
InChIInChI=1S/C10H13N3O3S2/c1-7-4-9(13-16-7)6-12-5-8-2-3-17-10(8)18(11,14)15/h2-4,12H,5-6H2,1H3,(H2,11,14,15)
InChIKeyNSUJQZAPWHOXTN-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.98
Rot. Bonds5

About 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide

3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide (PubChem CID 167776525) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide
PubChem CID167776525
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide
SMILESCc1cc(CNCc2ccsc2S(N)(=O)=O)no1
InChIInChI=1S/C10H13N3O3S2/c1-7-4-9(13-16-7)6-12-5-8-2-3-17-10(8)18(11,14)15/h2-4,12H,5-6H2,1H3,(H2,11,14,15)
InChIKeyNSUJQZAPWHOXTN-UHFFFAOYSA-N
XLogP0.98
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide (CID 167776525) is 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide is Cc1cc(CNCc2ccsc2S(N)(=O)=O)no1.
What is the InChIKey of 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide?
The InChIKey is NSUJQZAPWHOXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-7-4-9(13-16-7)6-12-5-8-2-3-17-10(8)18(11,14)15/h2-4,12H,5-6H2,1H3,(H2,11,14,15).
What are the key properties of 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide?
3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 167776525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).