5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide

C12H23N3O2S — CID 114141138

IUPAC5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC(C)C)c[nH]1
InChIInChI=1S/C12H23N3O2S/c1-4-13-8-11-7-12(9-14-11)18(16,17)15-6-5-10(2)3/h7,9-10,13-15H,4-6,8H2,1-3H3
InChIKeyDBTRRTASZIYWIQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.45
Rot. Bonds8

About 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114141138) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
PubChem CID114141138
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC(C)C)c[nH]1
InChIInChI=1S/C12H23N3O2S/c1-4-13-8-11-7-12(9-14-11)18(16,17)15-6-5-10(2)3/h7,9-10,13-15H,4-6,8H2,1-3H3
InChIKeyDBTRRTASZIYWIQ-UHFFFAOYSA-N
XLogP1.45
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-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)-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106049758
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106055691
5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068071
5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106327409
3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059124
5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106068793
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide (CID 114141138) is 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCC(C)C)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DBTRRTASZIYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-13-8-11-7-12(9-14-11)18(16,17)15-6-5-10(2)3/h7,9-10,13-15H,4-6,8H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114141138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).