2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide

C13H24N2O3S2 — CID 106068759

IUPAC2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(COC)C(C)C
InChIInChI=1S/C13H24N2O3S2/c1-5-14-8-12-13(6-7-19-12)20(16,17)15-11(9-18-4)10(2)3/h6-7,10-11,14-15H,5,8-9H2,1-4H3
InChIKeyLTEXJFBNBZNUAX-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.81
Rot. Bonds9

About 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide (PubChem CID 106068759) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
PubChem CID106068759
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(COC)C(C)C
InChIInChI=1S/C13H24N2O3S2/c1-5-14-8-12-13(6-7-19-12)20(16,17)15-11(9-18-4)10(2)3/h6-7,10-11,14-15H,5,8-9H2,1-4H3
InChIKeyLTEXJFBNBZNUAX-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050317
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106068793
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide (CID 106068759) is 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NC(COC)C(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide?
The InChIKey is LTEXJFBNBZNUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-5-14-8-12-13(6-7-19-12)20(16,17)15-11(9-18-4)10(2)3/h6-7,10-11,14-15H,5,8-9H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106068759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).