1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide

C13H24N4O2S — CID 106075400

IUPAC1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NN2CCCCC2)cc1CNC
InChIInChI=1S/C13H24N4O2S/c1-3-16-11-13(9-12(16)10-14-2)20(18,19)15-17-7-5-4-6-8-17/h9,11,14-15H,3-8,10H2,1-2H3
InChIKeyQONMMCFLDQRFLJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.91
Rot. Bonds6

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

1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide (PubChem CID 106075400) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
PubChem CID106075400
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NN2CCCCC2)cc1CNC
InChIInChI=1S/C13H24N4O2S/c1-3-16-11-13(9-12(16)10-14-2)20(18,19)15-17-7-5-4-6-8-17/h9,11,14-15H,3-8,10H2,1-2H3
InChIKeyQONMMCFLDQRFLJ-UHFFFAOYSA-N
XLogP0.91
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
CID 106075901
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080742
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067802
N-(1,4-dithian-2-ylmethyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106078480
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
1-[1-ethyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrol-2-yl]-N-methylmethanamine
CID 114414207
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide (CID 106075400) is 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NN2CCCCC2)cc1CNC.
What is the InChIKey of 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide?
The InChIKey is QONMMCFLDQRFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-16-11-13(9-12(16)10-14-2)20(18,19)15-17-7-5-4-6-8-17/h9,11,14-15H,3-8,10H2,1-2H3.
What are the key properties of 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide?
1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106075400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).