5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide

C13H24N2O3S — CID 83147385

IUPAC5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(CO)n(C)c1)C(C)(C)C
InChIInChI=1S/C13H24N2O3S/c1-10(13(2,3)4)7-14-19(17,18)12-6-11(9-16)15(5)8-12/h6,8,10,14,16H,7,9H2,1-5H3
InChIKeyPKALHFIDDYSESA-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.48
Rot. Bonds5

About 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide

5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide (PubChem CID 83147385) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
PubChem CID83147385
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(CO)n(C)c1)C(C)(C)C
InChIInChI=1S/C13H24N2O3S/c1-10(13(2,3)4)7-14-19(17,18)12-6-11(9-16)15(5)8-12/h6,8,10,14,16H,7,9H2,1-5H3
InChIKeyPKALHFIDDYSESA-UHFFFAOYSA-N
XLogP1.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107460565
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
4-fluoro-3-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147125
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
CID 114135604
4-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl chloride
CID 83142937
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
3-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958447
2-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106001980

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide (CID 83147385) is 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide is CC(CNS(=O)(=O)c1cc(CO)n(C)c1)C(C)(C)C.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide?
The InChIKey is PKALHFIDDYSESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(13(2,3)4)7-14-19(17,18)12-6-11(9-16)15(5)8-12/h6,8,10,14,16H,7,9H2,1-5H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.48, 5 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-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 83147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).