5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

C14H25N3O2S2 — CID 106025123

IUPAC5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC2CCN(C)CC2)cc1C
InChIInChI=1S/C14H25N3O2S2/c1-4-15-10-13-11(2)9-14(20-13)21(18,19)16-12-5-7-17(3)8-6-12/h9,12,15-16H,4-8,10H2,1-3H3
InChIKeyGYOGWIRKIZUZPH-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.54
Rot. Bonds6

About 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 106025123) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID106025123
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC2CCN(C)CC2)cc1C
InChIInChI=1S/C14H25N3O2S2/c1-4-15-10-13-11(2)9-14(20-13)21(18,19)16-12-5-7-17(3)8-6-12/h9,12,15-16H,4-8,10H2,1-3H3
InChIKeyGYOGWIRKIZUZPH-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-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-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
CID 106017747
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106069035
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106068843
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 106025123) is 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NC2CCN(C)CC2)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is GYOGWIRKIZUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-15-10-13-11(2)9-14(20-13)21(18,19)16-12-5-7-17(3)8-6-12/h9,12,15-16H,4-8,10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106025123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).