N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide

C13H20FN3O2S — CID 63765090

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide
SMILESCC1CCCC(CN)(NS(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C13H20FN3O2S/c1-10-3-2-4-13(6-10,9-15)17-20(18,19)12-5-11(14)7-16-8-12/h5,7-8,10,17H,2-4,6,9,15H2,1H3
InChIKeyVKGDVKMNSWOEEV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide (PubChem CID 63765090) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide
PubChem CID63765090
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide
SMILESCC1CCCC(CN)(NS(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C13H20FN3O2S/c1-10-3-2-4-13(6-10,9-15)17-20(18,19)12-5-11(14)7-16-8-12/h5,7-8,10,17H,2-4,6,9,15H2,1H3
InChIKeyVKGDVKMNSWOEEV-UHFFFAOYSA-N
XLogP1.41
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide (CID 63765090) is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide is CC1CCCC(CN)(NS(=O)(=O)c2cncc(F)c2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide?
The InChIKey is VKGDVKMNSWOEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-10-3-2-4-13(6-10,9-15)17-20(18,19)12-5-11(14)7-16-8-12/h5,7-8,10,17H,2-4,6,9,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 63765090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).