5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide

C13H25N3O3S — CID 106068793

IUPAC5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(COC)C(C)C)c[nH]1
InChIInChI=1S/C13H25N3O3S/c1-5-14-7-11-6-12(8-15-11)20(17,18)16-13(9-19-4)10(2)3/h6,8,10,13-16H,5,7,9H2,1-4H3
InChIKeyMZRQKSNOHYYKOT-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.07
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106068793) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106068793
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(COC)C(C)C)c[nH]1
InChIInChI=1S/C13H25N3O3S/c1-5-14-7-11-6-12(8-15-11)20(17,18)16-13(9-19-4)10(2)3/h6,8,10,13-16H,5,7,9H2,1-4H3
InChIKeyMZRQKSNOHYYKOT-UHFFFAOYSA-N
XLogP1.07
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-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-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
5-(ethylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106050955
5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022937
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide (CID 106068793) is 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(COC)C(C)C)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MZRQKSNOHYYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-5-14-7-11-6-12(8-15-11)20(17,18)16-13(9-19-4)10(2)3/h6,8,10,13-16H,5,7,9H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106068793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).