5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide

C11H15N3O3S2 — CID 81174323

IUPAC5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2ccon2)s1
InChIInChI=1S/C11H15N3O3S2/c1-12-6-4-10-2-3-11(18-10)19(15,16)13-8-9-5-7-17-14-9/h2-3,5,7,12-13H,4,6,8H2,1H3
InChIKeyOBXRCYIIYYBYBZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.98
Rot. Bonds7

About 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 81174323) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID81174323
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2ccon2)s1
InChIInChI=1S/C11H15N3O3S2/c1-12-6-4-10-2-3-11(18-10)19(15,16)13-8-9-5-7-17-14-9/h2-3,5,7,12-13H,4,6,8H2,1H3
InChIKeyOBXRCYIIYYBYBZ-UHFFFAOYSA-N
XLogP0.98
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
CID 106056402
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 81170323
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
5-[2-(methylamino)ethyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106068090
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide (CID 81174323) is 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)NCc2ccon2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is OBXRCYIIYYBYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-12-6-4-10-2-3-11(18-10)19(15,16)13-8-9-5-7-17-14-9/h2-3,5,7,12-13H,4,6,8H2,1H3.
What are the key properties of 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 81174323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).