5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide

C13H24N2O3S — CID 115327459

IUPAC5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cc(CO)n(C)c1
InChIInChI=1S/C13H24N2O3S/c1-11(2)6-4-5-7-14-19(17,18)13-8-12(10-16)15(3)9-13/h8-9,11,14,16H,4-7,10H2,1-3H3
InChIKeyAPGFESYQGVOSHK-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.62
Rot. Bonds8

About 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide

5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide (PubChem CID 115327459) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
PubChem CID115327459
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cc(CO)n(C)c1
InChIInChI=1S/C13H24N2O3S/c1-11(2)6-4-5-7-14-19(17,18)13-8-12(10-16)15(3)9-13/h8-9,11,14,16H,4-7,10H2,1-3H3
InChIKeyAPGFESYQGVOSHK-UHFFFAOYSA-N
XLogP1.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.62
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

1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106017012
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
CID 107818607
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
N-(4-methoxybutyl)-1-methyl-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106054022
4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61044010
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
6-methylheptylsulfamic acid
CID 87283481
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107460565
5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide
CID 106002042

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide (CID 115327459) is 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide is CC(C)CCCCNS(=O)(=O)c1cc(CO)n(C)c1.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide?
The InChIKey is APGFESYQGVOSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11(2)6-4-5-7-14-19(17,18)13-8-12(10-16)15(3)9-13/h8-9,11,14,16H,4-7,10H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 115327459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).