5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide

C13H25N3O2S2 — CID 106055612

IUPAC5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1
InChIInChI=1S/C13H25N3O2S2/c1-5-14-10-12-6-7-13(19-12)20(17,18)15-8-9-16(4)11(2)3/h6-7,11,14-15H,5,8-10H2,1-4H3
InChIKeyLVDXUJHZFQRRAV-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.48
Rot. Bonds9

About 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 106055612) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID106055612
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1
InChIInChI=1S/C13H25N3O2S2/c1-5-14-10-12-6-7-13(19-12)20(17,18)15-8-9-16(4)11(2)3/h6-7,11,14-15H,5,8-10H2,1-4H3
InChIKeyLVDXUJHZFQRRAV-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106051994
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide (CID 106055612) is 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is LVDXUJHZFQRRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-5-14-10-12-6-7-13(19-12)20(17,18)15-8-9-16(4)11(2)3/h6-7,11,14-15H,5,8-10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106055612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).