1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide

C14H20N4O2S — CID 106022878

IUPAC1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ccccn2)cn1C
InChIInChI=1S/C14H20N4O2S/c1-11(14-6-4-5-7-16-14)17-21(19,20)13-8-12(9-15-2)18(3)10-13/h4-8,10-11,15,17H,9H2,1-3H3
InChIKeyGCKDIBKQOMBNRB-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.18
Rot. Bonds6

About 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide (PubChem CID 106022878) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
PubChem CID106022878
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ccccn2)cn1C
InChIInChI=1S/C14H20N4O2S/c1-11(14-6-4-5-7-16-14)17-21(19,20)13-8-12(9-15-2)18(3)10-13/h4-8,10-11,15,17H,9H2,1-3H3
InChIKeyGCKDIBKQOMBNRB-UHFFFAOYSA-N
XLogP1.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide (CID 106022878) is 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)c2ccccn2)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide?
The InChIKey is GCKDIBKQOMBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(14-6-4-5-7-16-14)17-21(19,20)13-8-12(9-15-2)18(3)10-13/h4-8,10-11,15,17H,9H2,1-3H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106022878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).