1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide

C11H16F3N3O2S — CID 106218768

IUPAC1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1C
InChIInChI=1S/C11H16F3N3O2S/c1-15-6-8-5-9(7-17(8)2)20(18,19)16-10(3-4-10)11(12,13)14/h5,7,15-16H,3-4,6H2,1-2H3
InChIKeyRPKZCFJRJJSXAD-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.12
Rot. Bonds5

About 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide (PubChem CID 106218768) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
PubChem CID106218768
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1C
InChIInChI=1S/C11H16F3N3O2S/c1-15-6-8-5-9(7-17(8)2)20(18,19)16-10(3-4-10)11(12,13)14/h5,7,15-16H,3-4,6H2,1-2H3
InChIKeyRPKZCFJRJJSXAD-UHFFFAOYSA-N
XLogP1.12
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218661
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080492
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
CID 106218789
N-(3-fluoro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106070494
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
2-bromo-4-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218751
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
CID 106064325
N-(3-fluorophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106060661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide (CID 106218768) is 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
The InChIKey is RPKZCFJRJJSXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-15-6-8-5-9(7-17(8)2)20(18,19)16-10(3-4-10)11(12,13)14/h5,7,15-16H,3-4,6H2,1-2H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106218768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).