N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide

C14H25N3O2S — CID 106071169

IUPACN-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C14H25N3O2S/c1-4-9-15-10-5-6-11-20(18,19)17-14-8-7-12(2)16-13(14)3/h7-8,15,17H,4-6,9-11H2,1-3H3
InChIKeyHKIMYFACBMNIEP-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.22
Rot. Bonds9

About N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide

N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106071169) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106071169
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C14H25N3O2S/c1-4-9-15-10-5-6-11-20(18,19)17-14-8-7-12(2)16-13(14)3/h7-8,15,17H,4-6,9-11H2,1-3H3
InChIKeyHKIMYFACBMNIEP-UHFFFAOYSA-N
XLogP2.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
N-(2-bromo-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076580
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784
N-(5-bromo-4-fluoro-2-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106087809
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387
4-(propylamino)-N-(2,3,5-trifluorophenyl)butane-1-sulfonamide
CID 106056266

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide (CID 106071169) is N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)Nc1ccc(C)nc1C.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is HKIMYFACBMNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-9-15-10-5-6-11-20(18,19)17-14-8-7-12(2)16-13(14)3/h7-8,15,17H,4-6,9-11H2,1-3H3.
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide?
N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106071169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).