5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide

C13H24N2O3S2 — CID 106067439

IUPAC5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC(C)CCOC)cc1C
InChIInChI=1S/C13H24N2O3S2/c1-5-14-9-12-10(2)8-13(19-12)20(16,17)15-11(3)6-7-18-4/h8,11,14-15H,5-7,9H2,1-4H3
InChIKeyRWMMSPIETJUMLX-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.87
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide

5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 106067439) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
PubChem CID106067439
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC(C)CCOC)cc1C
InChIInChI=1S/C13H24N2O3S2/c1-5-14-9-12-10(2)8-13(19-12)20(16,17)15-11(3)6-7-18-4/h8,11,14-15H,5-7,9H2,1-4H3
InChIKeyRWMMSPIETJUMLX-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106067648
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
N-(1-ethoxypropan-2-yl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106054220
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide (CID 106067439) is 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NC(C)CCOC)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is RWMMSPIETJUMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-5-14-9-12-10(2)8-13(19-12)20(16,17)15-11(3)6-7-18-4/h8,11,14-15H,5-7,9H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106067439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).