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

C13H19N3O3S2 — CID 106390208

IUPAC2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C13H19N3O3S2/c1-4-14-8-11-12(5-6-20-11)21(17,18)16-10(3)13-15-7-9(2)19-13/h5-7,10,14,16H,4,8H2,1-3H3
InChIKeyVPBXZGWZYRPJAY-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.19
Rot. Bonds7

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

2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106390208) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106390208
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC Name2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C13H19N3O3S2/c1-4-14-8-11-12(5-6-20-11)21(17,18)16-10(3)13-15-7-9(2)19-13/h5-7,10,14,16H,4,8H2,1-3H3
InChIKeyVPBXZGWZYRPJAY-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050317
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390084
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947083
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773168

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide (CID 106390208) is 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is VPBXZGWZYRPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-4-14-8-11-12(5-6-20-11)21(17,18)16-10(3)13-15-7-9(2)19-13/h5-7,10,14,16H,4,8H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106390208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).