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

C11H16N4O3S2 — CID 106411301

IUPAC5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCc2ncon2)cs1
InChIInChI=1S/C11H16N4O3S2/c1-2-12-6-9-5-10(7-19-9)20(16,17)14-4-3-11-13-8-18-15-11/h5,7-8,12,14H,2-4,6H2,1H3
InChIKeyIBLLAKGZQRDZSD-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.76
Rot. Bonds8

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

5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106411301) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106411301
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCc2ncon2)cs1
InChIInChI=1S/C11H16N4O3S2/c1-2-12-6-9-5-10(7-19-9)20(16,17)14-4-3-11-13-8-18-15-11/h5,7-8,12,14H,2-4,6H2,1H3
InChIKeyIBLLAKGZQRDZSD-UHFFFAOYSA-N
XLogP0.76
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411257
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093591
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 106401477
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
CID 106402385
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106411271
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106411298

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide (CID 106411301) is 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCc2ncon2)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is IBLLAKGZQRDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-2-12-6-9-5-10(7-19-9)20(16,17)14-4-3-11-13-8-18-15-11/h5,7-8,12,14H,2-4,6H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 316.41 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106411301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).