2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide

C14H26N2O2S3 — CID 106093653

IUPAC2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCCCCCSC
InChIInChI=1S/C14H26N2O2S3/c1-4-15-10-13-14(12(2)11-20-13)21(17,18)16-8-6-5-7-9-19-3/h11,15-16H,4-10H2,1-3H3
InChIKeyMKLWHMKBQFRARP-UHFFFAOYSA-N
MW350.58 g/mol
LogP2.98
Rot. Bonds11

About 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide (PubChem CID 106093653) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
PubChem CID106093653
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCCCCCSC
InChIInChI=1S/C14H26N2O2S3/c1-4-15-10-13-14(12(2)11-20-13)21(17,18)16-8-6-5-7-9-19-3/h11,15-16H,4-10H2,1-3H3
InChIKeyMKLWHMKBQFRARP-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
5-(ethylaminomethyl)-2-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093781
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide (CID 106093653) is 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NCCCCCSC.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
The InChIKey is MKLWHMKBQFRARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-4-15-10-13-14(12(2)11-20-13)21(17,18)16-8-6-5-7-9-19-3/h11,15-16H,4-10H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106093653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).