N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide

C13H23N3O3S — CID 106062082

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C13H23N3O3S/c1-4-6-14-9-11(2)20(17,18)16-10-12-5-7-15-13(8-12)19-3/h5,7-8,11,14,16H,4,6,9-10H2,1-3H3
InChIKeyIPNJQCLWWNTBMP-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.90
Rot. Bonds9

About N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide

N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide (PubChem CID 106062082) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
PubChem CID106062082
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C13H23N3O3S/c1-4-6-14-9-11(2)20(17,18)16-10-12-5-7-15-13(8-12)19-3/h5,7-8,11,14,16H,4,6,9-10H2,1-3H3
InChIKeyIPNJQCLWWNTBMP-UHFFFAOYSA-N
XLogP0.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-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

2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
CID 55141905
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide
CID 106092643
N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide (CID 106062082) is N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NCc1ccnc(OC)c1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide?
The InChIKey is IPNJQCLWWNTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-6-14-9-11(2)20(17,18)16-10-12-5-7-15-13(8-12)19-3/h5,7-8,11,14,16H,4,6,9-10H2,1-3H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide?
N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106062082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).