6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide

C13H23N3O4S — CID 114613324

IUPAC6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H23N3O4S/c1-19-8-3-6-16(7-9-20-2)21(17,18)13-5-4-12(10-14)15-11-13/h4-5,11H,3,6-10,14H2,1-2H3
InChIKeyXVKSBXRODLROPY-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.21
Rot. Bonds10

About 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide (PubChem CID 114613324) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
PubChem CID114613324
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H23N3O4S/c1-19-8-3-6-16(7-9-20-2)21(17,18)13-5-4-12(10-14)15-11-13/h4-5,11H,3,6-10,14H2,1-2H3
InChIKeyXVKSBXRODLROPY-UHFFFAOYSA-N
XLogP0.21
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159352
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
3-amino-4-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126076
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 62157005
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692312
2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine
CID 142419290
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide (CID 114613324) is 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide is COCCCN(CCOC)S(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
The InChIKey is XVKSBXRODLROPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-19-8-3-6-16(7-9-20-2)21(17,18)13-5-4-12(10-14)15-11-13/h4-5,11H,3,6-10,14H2,1-2H3.
What are the key properties of 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 0.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).