5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide

C10H19N3O4S2 — CID 79865256

IUPAC5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C10H19N3O4S2/c1-12-8-10(6-9(12)7-11)19(16,17)13(2)4-5-18(3,14)15/h6,8H,4-5,7,11H2,1-3H3
InChIKeyOFJYXSVJAZALOU-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.85
Rot. Bonds6

About 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide

5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide (PubChem CID 79865256) has the molecular formula C10H19N3O4S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
PubChem CID79865256
Molecular FormulaC10H19N3O4S2
Molecular Weight309.41 g/mol
Exact Mass309.08
IUPAC Name5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C10H19N3O4S2/c1-12-8-10(6-9(12)7-11)19(16,17)13(2)4-5-18(3,14)15/h6,8H,4-5,7,11H2,1-3H3
InChIKeyOFJYXSVJAZALOU-UHFFFAOYSA-N
XLogP-0.85
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpyrrole-3-sulfonamide
CID 79845483
5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpyrrole-3-sulfonamide
CID 79845643
5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
CID 79863901
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
5-(chloromethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 81064720
N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 81074914
N,1-dimethyl-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 115988394
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79864992

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide (CID 79865256) is 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CN)n(C)c1.
What is the InChIKey of 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide?
The InChIKey is OFJYXSVJAZALOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S2/c1-12-8-10(6-9(12)7-11)19(16,17)13(2)4-5-18(3,14)15/h6,8H,4-5,7,11H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide has a molecular weight of 309.41 g/mol, XLogP of -0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 79865256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).