5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide

C14H27N3O2S — CID 106008386

IUPAC5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C14H27N3O2S/c1-4-5-6-7-8-12(2)16-20(18,19)14-9-13(10-15)17(3)11-14/h9,11-12,16H,4-8,10,15H2,1-3H3
InChIKeyKZZBJGNAQYBPJY-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.12
Rot. Bonds9

About 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide (PubChem CID 106008386) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
PubChem CID106008386
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C14H27N3O2S/c1-4-5-6-7-8-12(2)16-20(18,19)14-9-13(10-15)17(3)11-14/h9,11-12,16H,4-8,10,15H2,1-3H3
InChIKeyKZZBJGNAQYBPJY-UHFFFAOYSA-N
XLogP2.12
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(heptan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43421839
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide
CID 106068979
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide (CID 106008386) is 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide is CCCCCCC(C)NS(=O)(=O)c1cc(CN)n(C)c1.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide?
The InChIKey is KZZBJGNAQYBPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-4-5-6-7-8-12(2)16-20(18,19)14-9-13(10-15)17(3)11-14/h9,11-12,16H,4-8,10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106008386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).