6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide

C15H19N3O2S — CID 114613731

IUPAC6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CN)nc1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12(13-5-3-2-4-6-13)10-18-21(19,20)15-8-7-14(9-16)17-11-15/h2-8,11-12,18H,9-10,16H2,1H3
InChIKeyZMXXRGPERSZZKO-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.62
Rot. Bonds6

About 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide (PubChem CID 114613731) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
PubChem CID114613731
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CN)nc1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12(13-5-3-2-4-6-13)10-18-21(19,20)15-8-7-14(9-16)17-11-15/h2-8,11-12,18H,9-10,16H2,1H3
InChIKeyZMXXRGPERSZZKO-UHFFFAOYSA-N
XLogP1.62
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
CID 114613166
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide (CID 114613731) is 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1ccc(CN)nc1)c1ccccc1.
What is the InChIKey of 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The InChIKey is ZMXXRGPERSZZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(13-5-3-2-4-6-13)10-18-21(19,20)15-8-7-14(9-16)17-11-15/h2-8,11-12,18H,9-10,16H2,1H3.
What are the key properties of 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).