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

C13H23N3O4S — CID 62159352

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)N(CCCOC)CCOC)cn1
InChIInChI=1S/C13H23N3O4S/c1-14-13-6-5-12(11-15-13)21(17,18)16(8-10-20-3)7-4-9-19-2/h5-6,11H,4,7-10H2,1-3H3,(H,14,15)
InChIKeyVCXSGNSVCTYVQD-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.80
Rot. Bonds10

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

N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62159352) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62159352
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)N(CCCOC)CCOC)cn1
InChIInChI=1S/C13H23N3O4S/c1-14-13-6-5-12(11-15-13)21(17,18)16(8-10-20-3)7-4-9-19-2/h5-6,11H,4,7-10H2,1-3H3,(H,14,15)
InChIKeyVCXSGNSVCTYVQD-UHFFFAOYSA-N
XLogP0.80
TPSA80.76 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 ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide (CID 62159352) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)N(CCCOC)CCOC)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is VCXSGNSVCTYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-14-13-6-5-12(11-15-13)21(17,18)16(8-10-20-3)7-4-9-19-2/h5-6,11H,4,7-10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 0.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62159352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).