1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide

C12H17N5O2S — CID 106072059

IUPAC1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncccn2)cc1CNC
InChIInChI=1S/C12H17N5O2S/c1-3-17-9-11(7-10(17)8-13-2)20(18,19)16-12-14-5-4-6-15-12/h4-7,9,13H,3,8H2,1-2H3,(H,14,15,16)
InChIKeySRFRIGTWUOUKQJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.82
Rot. Bonds6

About 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide

1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide (PubChem CID 106072059) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
PubChem CID106072059
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncccn2)cc1CNC
InChIInChI=1S/C12H17N5O2S/c1-3-17-9-11(7-10(17)8-13-2)20(18,19)16-12-14-5-4-6-15-12/h4-7,9,13H,3,8H2,1-2H3,(H,14,15,16)
InChIKeySRFRIGTWUOUKQJ-UHFFFAOYSA-N
XLogP0.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526
1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
CID 106075400
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106085262
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
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
5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
CID 107658144
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
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-pyrimidin-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide (CID 106072059) is 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)Nc2ncccn2)cc1CNC.
What is the InChIKey of 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide?
The InChIKey is SRFRIGTWUOUKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-17-9-11(7-10(17)8-13-2)20(18,19)16-12-14-5-4-6-15-12/h4-7,9,13H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide?
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106072059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).