5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide

C13H20N4O2S2 — CID 106065084

IUPAC5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCc2ccnn2C)c(C)s1
InChIInChI=1S/C13H20N4O2S2/c1-4-14-9-12-7-13(10(2)20-12)21(18,19)16-8-11-5-6-15-17(11)3/h5-7,14,16H,4,8-9H2,1-3H3
InChIKeyJIHSLNXGYYIPTQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.38
Rot. Bonds7

About 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106065084) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID106065084
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCc2ccnn2C)c(C)s1
InChIInChI=1S/C13H20N4O2S2/c1-4-14-9-12-7-13(10(2)20-12)21(18,19)16-8-11-5-6-15-17(11)3/h5-7,14,16H,4,8-9H2,1-3H3
InChIKeyJIHSLNXGYYIPTQ-UHFFFAOYSA-N
XLogP1.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-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)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071355
5-amino-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324
N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106086831
2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054518
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908
5-(ethylaminomethyl)-2-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093781
5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 106090175
2-fluoro-5-methyl-3-[(2-methylpyrazol-3-yl)methylsulfamoyl]benzoic acid
CID 99822253
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 63303237

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide (CID 106065084) is 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCc2ccnn2C)c(C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is JIHSLNXGYYIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-4-14-9-12-7-13(10(2)20-12)21(18,19)16-8-11-5-6-15-17(11)3/h5-7,14,16H,4,8-9H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106065084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).