5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide

C13H18N4O2S — CID 107658144

IUPAC5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccn2)cc1CN
InChIInChI=1S/C13H18N4O2S/c1-2-17-10-13(7-12(17)8-14)20(18,19)16-9-11-5-3-4-6-15-11/h3-7,10,16H,2,8-9,14H2,1H3
InChIKeyQUWFQCOEKVJWKM-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.84
Rot. Bonds6

About 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 107658144) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
PubChem CID107658144
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccn2)cc1CN
InChIInChI=1S/C13H18N4O2S/c1-2-17-10-13(7-12(17)8-14)20(18,19)16-9-11-5-3-4-6-15-11/h3-7,10,16H,2,8-9,14H2,1H3
InChIKeyQUWFQCOEKVJWKM-UHFFFAOYSA-N
XLogP0.84
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106092589
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106378199
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide (CID 107658144) is 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccccn2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is QUWFQCOEKVJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-17-10-13(7-12(17)8-14)20(18,19)16-9-11-5-3-4-6-15-11/h3-7,10,16H,2,8-9,14H2,1H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 107658144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).