2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide

C14H25N3O2S — CID 106024236

IUPAC2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-5-8-12(7-4-2)17-20(18,19)14-9-6-10-16-13(14)11-15/h6,9-10,12,17H,3-5,7-8,11,15H2,1-2H3
InChIKeyBOOBUCGRBWNOTL-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.18
Rot. Bonds9

About 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide

2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide (PubChem CID 106024236) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
PubChem CID106024236
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-5-8-12(7-4-2)17-20(18,19)14-9-6-10-16-13(14)11-15/h6,9-10,12,17H,3-5,7-8,11,15H2,1-2H3
InChIKeyBOOBUCGRBWNOTL-UHFFFAOYSA-N
XLogP2.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-octan-4-ylpyridine-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-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
CID 106593879
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide (CID 106024236) is 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide?
The InChIKey is BOOBUCGRBWNOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-5-8-12(7-4-2)17-20(18,19)14-9-6-10-16-13(14)11-15/h6,9-10,12,17H,3-5,7-8,11,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide?
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 106024236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).