N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide

C13H23N3O3S — CID 104765369

IUPACN-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCOC(C)C)cn1
InChIInChI=1S/C13H23N3O3S/c1-4-7-14-13-6-5-12(10-15-13)20(17,18)16-8-9-19-11(2)3/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyRGPRTNSASSGBHP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.61
Rot. Bonds9

About N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide

N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 104765369) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID104765369
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCOC(C)C)cn1
InChIInChI=1S/C13H23N3O3S/c1-4-7-14-13-6-5-12(10-15-13)20(17,18)16-8-9-19-11(2)3/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyRGPRTNSASSGBHP-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
CID 106012409
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
CID 98016847
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
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
CID 106347089
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide (CID 104765369) is N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCCOC(C)C)cn1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is RGPRTNSASSGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-7-14-13-6-5-12(10-15-13)20(17,18)16-8-9-19-11(2)3/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 104765369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).