5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide

C12H16N4O2S — CID 106022849

IUPAC5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1c[nH]c(CN)c1)c1ccccn1
InChIInChI=1S/C12H16N4O2S/c1-9(12-4-2-3-5-14-12)16-19(17,18)11-6-10(7-13)15-8-11/h2-6,8-9,15-16H,7,13H2,1H3
InChIKeyCNGROHOZWKDAEM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.91
Rot. Bonds5

About 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106022849) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106022849
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1c[nH]c(CN)c1)c1ccccn1
InChIInChI=1S/C12H16N4O2S/c1-9(12-4-2-3-5-14-12)16-19(17,18)11-6-10(7-13)15-8-11/h2-6,8-9,15-16H,7,13H2,1H3
InChIKeyCNGROHOZWKDAEM-UHFFFAOYSA-N
XLogP0.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022937
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide
CID 106022983
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide (CID 106022849) is 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide is CC(NS(=O)(=O)c1c[nH]c(CN)c1)c1ccccn1.
What is the InChIKey of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is CNGROHOZWKDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(12-4-2-3-5-14-12)16-19(17,18)11-6-10(7-13)15-8-11/h2-6,8-9,15-16H,7,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106022849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).