5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

C14H26N2O2S3 — CID 115988529

IUPAC5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)N(C)C(CC)CSC)s1
InChIInChI=1S/C14H26N2O2S3/c1-5-12(11-19-4)16(3)21(17,18)14-8-7-13(20-14)9-10-15-6-2/h7-8,12,15H,5-6,9-11H2,1-4H3
InChIKeyLGQDZLZQKAYUBS-UHFFFAOYSA-N
MW350.58 g/mol
LogP2.66
Rot. Bonds10

About 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 115988529) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID115988529
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC Name5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)N(C)C(CC)CSC)s1
InChIInChI=1S/C14H26N2O2S3/c1-5-12(11-19-4)16(3)21(17,18)14-8-7-13(20-14)9-10-15-6-2/h7-8,12,15H,5-6,9-11H2,1-4H3
InChIKeyLGQDZLZQKAYUBS-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112666962
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551413
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068796
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667380
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 112666972
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 103192356
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
5-amino-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656623

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (CID 115988529) is 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)N(C)C(CC)CSC)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is LGQDZLZQKAYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-5-12(11-19-4)16(3)21(17,18)14-8-7-13(20-14)9-10-15-6-2/h7-8,12,15H,5-6,9-11H2,1-4H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 115988529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).