6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide

C11H19N3O2S — CID 98016847

IUPAC6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C11H19N3O2S/c1-4-7-13-17(15,16)10-5-6-11(12-8-10)14-9(2)3/h5-6,8-9,13H,4,7H2,1-3H3,(H,12,14)
InChIKeyITIFLFQJRZEMEJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.59
Rot. Bonds6

About 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide

6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide (PubChem CID 98016847) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
PubChem CID98016847
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C11H19N3O2S/c1-4-7-13-17(15,16)10-5-6-11(12-8-10)14-9(2)3/h5-6,8-9,13H,4,7H2,1-3H3,(H,12,14)
InChIKeyITIFLFQJRZEMEJ-UHFFFAOYSA-N
XLogP1.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide
CID 98016686
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96664604
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
6-hydrazinyl-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 63003893
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide (CID 98016847) is 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide is CCCNS(=O)(=O)c1ccc(NC(C)C)nc1.
What is the InChIKey of 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide?
The InChIKey is ITIFLFQJRZEMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-7-13-17(15,16)10-5-6-11(12-8-10)14-9(2)3/h5-6,8-9,13H,4,7H2,1-3H3,(H,12,14).
What are the key properties of 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide?
6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 98016847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).