N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide

C13H23N3O4S — CID 62157283

IUPACN-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCOCCOC)cn1
InChIInChI=1S/C13H23N3O4S/c1-3-6-14-13-5-4-12(11-15-13)21(17,18)16-7-8-20-10-9-19-2/h4-5,11,16H,3,6-10H2,1-2H3,(H,14,15)
InChIKeyPUWMKNLUCZDCEN-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.84
Rot. Bonds11

About N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide

N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62157283) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62157283
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCOCCOC)cn1
InChIInChI=1S/C13H23N3O4S/c1-3-6-14-13-5-4-12(11-15-13)21(17,18)16-7-8-20-10-9-19-2/h4-5,11,16H,3,6-10H2,1-2H3,(H,14,15)
InChIKeyPUWMKNLUCZDCEN-UHFFFAOYSA-N
XLogP0.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
CID 98016847

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide (CID 62157283) is N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCCOCCOC)cn1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is PUWMKNLUCZDCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-3-6-14-13-5-4-12(11-15-13)21(17,18)16-7-8-20-10-9-19-2/h4-5,11,16H,3,6-10H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide?
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 0.84, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62157283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).