5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide

C14H24N4O2S — CID 106050953

IUPAC5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)CN2CCCC2)nc1
InChIInChI=1S/C14H24N4O2S/c1-12(11-18-7-3-4-8-18)17-21(19,20)14-6-5-13(9-15-2)10-16-14/h5-6,10,12,15,17H,3-4,7-9,11H2,1-2H3
InChIKeyFYAIXILZFPQMHA-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.56
Rot. Bonds7

About 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide

5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide (PubChem CID 106050953) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
PubChem CID106050953
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)CN2CCCC2)nc1
InChIInChI=1S/C14H24N4O2S/c1-12(11-18-7-3-4-8-18)17-21(19,20)14-6-5-13(9-15-2)10-16-14/h5-6,10,12,15,17H,3-4,7-9,11H2,1-2H3
InChIKeyFYAIXILZFPQMHA-UHFFFAOYSA-N
XLogP0.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106084685
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
CID 106066707
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-sulfonamide
CID 106094867
N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61275215

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide (CID 106050953) is 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC(C)CN2CCCC2)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide?
The InChIKey is FYAIXILZFPQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12(11-18-7-3-4-8-18)17-21(19,20)14-6-5-13(9-15-2)10-16-14/h5-6,10,12,15,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide?
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 106050953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).