1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide

C10H19N3O2S2 — CID 106063695

IUPAC1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCSC)cn1C
InChIInChI=1S/C10H19N3O2S2/c1-11-7-9-6-10(8-13(9)2)17(14,15)12-4-5-16-3/h6,8,11-12H,4-5,7H2,1-3H3
InChIKeyZNZHYFXPOMVUEH-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.39
Rot. Bonds7

About 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide (PubChem CID 106063695) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
PubChem CID106063695
Molecular FormulaC10H19N3O2S2
Molecular Weight277.42 g/mol
Exact Mass277.09
IUPAC Name1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCSC)cn1C
InChIInChI=1S/C10H19N3O2S2/c1-11-7-9-6-10(8-13(9)2)17(14,15)12-4-5-16-3/h6,8,11-12H,4-5,7H2,1-3H3
InChIKeyZNZHYFXPOMVUEH-UHFFFAOYSA-N
XLogP0.39
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
N-(2-methylsulfanylethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106063787
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106017012
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 107818779
1-methyl-N-(4-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106080224
1-methyl-4-(4-methylsulfanylbutylsulfamoyl)pyrrole-2-carboxylic acid
CID 113437792
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106064827
N-(3-fluoro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106070494
1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218768

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide (CID 106063695) is 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCSC)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide?
The InChIKey is ZNZHYFXPOMVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-11-7-9-6-10(8-13(9)2)17(14,15)12-4-5-16-3/h6,8,11-12H,4-5,7H2,1-3H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide has a molecular weight of 277.42 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106063695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).