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

C10H13N3O4S2 — CID 106410661

IUPAC5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ncon2)sc1CO
InChIInChI=1S/C10H13N3O4S2/c1-7-4-10(18-8(7)5-14)19(15,16)12-3-2-9-11-6-17-13-9/h4,6,12,14H,2-3,5H2,1H3
InChIKeyGYUYEQSHFKIESY-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.45
Rot. Bonds6

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

5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106410661) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106410661
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC Name5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ncon2)sc1CO
InChIInChI=1S/C10H13N3O4S2/c1-7-4-10(18-8(7)5-14)19(15,16)12-3-2-9-11-6-17-13-9/h4,6,12,14H,2-3,5H2,1H3
InChIKeyGYUYEQSHFKIESY-UHFFFAOYSA-N
XLogP0.45
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.45
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
4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106410852
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106410619
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
CID 106410644
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
5-(aminomethyl)-3-fluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411399

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide (CID 106410661) is 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCc2ncon2)sc1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GYUYEQSHFKIESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S2/c1-7-4-10(18-8(7)5-14)19(15,16)12-3-2-9-11-6-17-13-9/h4,6,12,14H,2-3,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 303.37 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106410661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).