1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide

C13H21N5O2S — CID 106085262

IUPAC1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ncc[nH]2)cc1CNC
InChIInChI=1S/C13H21N5O2S/c1-3-18-10-12(8-11(18)9-14-2)21(19,20)17-5-4-13-15-6-7-16-13/h6-8,10,14,17H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyDDAOSGRTOJHCAT-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.47
Rot. Bonds8

About 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide

1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106085262) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106085262
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ncc[nH]2)cc1CNC
InChIInChI=1S/C13H21N5O2S/c1-3-18-10-12(8-11(18)9-14-2)21(19,20)17-5-4-13-15-6-7-16-13/h6-8,10,14,17H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyDDAOSGRTOJHCAT-UHFFFAOYSA-N
XLogP0.47
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
N-[2-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106085257
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085272
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106085186
N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106085203
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 114613759
1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
CID 106075400

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106085262) is 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ncc[nH]2)cc1CNC.
What is the InChIKey of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is DDAOSGRTOJHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-3-18-10-12(8-11(18)9-14-2)21(19,20)17-5-4-13-15-6-7-16-13/h6-8,10,14,17H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide?
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106085262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).