N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide

C15H25N3O2S — CID 106058846

IUPACN-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCCCCCC2)nc1
InChIInChI=1S/C15H25N3O2S/c1-16-11-13-9-10-15(17-12-13)21(19,20)18-14-7-5-3-2-4-6-8-14/h9-10,12,14,16,18H,2-8,11H2,1H3
InChIKeyAMISITCOYSXYDC-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.19
Rot. Bonds5

About N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide

N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106058846) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106058846
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCCCCCC2)nc1
InChIInChI=1S/C15H25N3O2S/c1-16-11-13-9-10-15(17-12-13)21(19,20)18-14-7-5-3-2-4-6-8-14/h9-10,12,14,16,18H,2-8,11H2,1H3
InChIKeyAMISITCOYSXYDC-UHFFFAOYSA-N
XLogP2.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclooctyl-5-(methylaminomethyl)pyridine-2-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

N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106075164
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 106084462
5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-sulfonamide
CID 106094867
1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
CID 79187205
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
CID 106000954
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
5-(aminomethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114552024
N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106078467
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106058846) is N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC2CCCCCCC2)nc1.
What is the InChIKey of N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is AMISITCOYSXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-11-13-9-10-15(17-12-13)21(19,20)18-14-7-5-3-2-4-6-8-14/h9-10,12,14,16,18H,2-8,11H2,1H3.
What are the key properties of N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).