5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide

C12H23N3O2S — CID 114140372

IUPAC5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(CN)n(CC)c1
InChIInChI=1S/C12H23N3O2S/c1-4-6-10(3)14-18(16,17)12-7-11(8-13)15(5-2)9-12/h7,9-10,14H,4-6,8,13H2,1-3H3
InChIKeyQXWWOHJKOGTKMT-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.43
Rot. Bonds7

About 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide (PubChem CID 114140372) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
PubChem CID114140372
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(CN)n(CC)c1
InChIInChI=1S/C12H23N3O2S/c1-4-6-10(3)14-18(16,17)12-7-11(8-13)15(5-2)9-12/h7,9-10,14H,4-6,8,13H2,1-3H3
InChIKeyQXWWOHJKOGTKMT-UHFFFAOYSA-N
XLogP1.43
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
CID 106055445
5-(aminomethyl)-1-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051316
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
1-ethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106079700

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide (CID 114140372) is 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide is CCCC(C)NS(=O)(=O)c1cc(CN)n(CC)c1.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide?
The InChIKey is QXWWOHJKOGTKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-6-10(3)14-18(16,17)12-7-11(8-13)15(5-2)9-12/h7,9-10,14H,4-6,8,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 114140372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).