2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide

C12H14N4O2S — CID 106594533

IUPAC2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H14N4O2S/c1-9-8-14-6-4-10(9)16-19(17,18)12-3-2-5-15-11(12)7-13/h2-6,8H,7,13H2,1H3,(H,14,16)
InChIKeyRMFRNVIYGBUOBX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.04
Rot. Bonds4

About 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide (PubChem CID 106594533) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
PubChem CID106594533
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H14N4O2S/c1-9-8-14-6-4-10(9)16-19(17,18)12-3-2-5-15-11(12)7-13/h2-6,8H,7,13H2,1H3,(H,14,16)
InChIKeyRMFRNVIYGBUOBX-UHFFFAOYSA-N
XLogP1.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
2-hydrazinyl-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 63327419
3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065535
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 106594436
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide (CID 106594533) is 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide is Cc1cnccc1NS(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is RMFRNVIYGBUOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9-8-14-6-4-10(9)16-19(17,18)12-3-2-5-15-11(12)7-13/h2-6,8H,7,13H2,1H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).