1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide

C12H21N3O2S — CID 113486202

IUPAC1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(C)CC2)cc1CNC
InChIInChI=1S/C12H21N3O2S/c1-4-15-9-11(7-10(15)8-13-3)18(16,17)14-12(2)5-6-12/h7,9,13-14H,4-6,8H2,1-3H3
InChIKeyFHNNLCBSTDWBSP-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.06
Rot. Bonds6

About 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide

1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide (PubChem CID 113486202) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
PubChem CID113486202
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(C)CC2)cc1CNC
InChIInChI=1S/C12H21N3O2S/c1-4-15-9-11(7-10(15)8-13-3)18(16,17)14-12(2)5-6-12/h7,9,13-14H,4-6,8H2,1-3H3
InChIKeyFHNNLCBSTDWBSP-UHFFFAOYSA-N
XLogP1.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
CID 106075400
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080742
N-(1,4-dithian-2-ylmethyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106078480
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067802
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218768
1-ethyl-5-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrole-3-sulfonamide
CID 106072874

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide (CID 113486202) is 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC2(C)CC2)cc1CNC.
What is the InChIKey of 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide?
The InChIKey is FHNNLCBSTDWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15-9-11(7-10(15)8-13-3)18(16,17)14-12(2)5-6-12/h7,9,13-14H,4-6,8H2,1-3H3.
What are the key properties of 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide?
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 113486202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).