5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide

C13H24N2O2S2 — CID 106031981

IUPAC5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC(CC)CC)cc1C
InChIInChI=1S/C13H24N2O2S2/c1-5-11(6-2)15-19(16,17)13-8-10(4)12(18-13)9-14-7-3/h8,11,14-15H,5-7,9H2,1-4H3
InChIKeyIHMFQKHNLPOZAU-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.63
Rot. Bonds8

About 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide

5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide (PubChem CID 106031981) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
PubChem CID106031981
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC(CC)CC)cc1C
InChIInChI=1S/C13H24N2O2S2/c1-5-11(6-2)15-19(16,17)13-8-10(4)12(18-13)9-14-7-3/h8,11,14-15H,5-7,9H2,1-4H3
InChIKeyIHMFQKHNLPOZAU-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025123
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106069035
5-(ethylaminomethyl)-4-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106030879
5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015104

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide (CID 106031981) is 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NC(CC)CC)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
The InChIKey is IHMFQKHNLPOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-5-11(6-2)15-19(16,17)13-8-10(4)12(18-13)9-14-7-3/h8,11,14-15H,5-7,9H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).