6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide

C14H25N3O2S — CID 79483194

IUPAC6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C14H25N3O2S/c1-5-12(6-2)17(10-11(3)4)20(18,19)13-7-8-14(15)16-9-13/h7-9,11-12H,5-6,10H2,1-4H3,(H2,15,16)
InChIKeyIBMSGWMAGVFFSK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.50
Rot. Bonds7

About 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide

6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide (PubChem CID 79483194) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide
PubChem CID79483194
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C14H25N3O2S/c1-5-12(6-2)17(10-11(3)4)20(18,19)13-7-8-14(15)16-9-13/h7-9,11-12H,5-6,10H2,1-4H3,(H2,15,16)
InChIKeyIBMSGWMAGVFFSK-UHFFFAOYSA-N
XLogP2.50
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-hydroxy-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490220
6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62152603
2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79484270
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
3-(chloromethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79489344
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 79500868
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
N-butan-2-yl-N-ethyl-6-hydrazinylpyridine-3-sulfonamide
CID 43274843
2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153122
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide (CID 79483194) is 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide?
The InChIKey is IBMSGWMAGVFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-12(6-2)17(10-11(3)4)20(18,19)13-7-8-14(15)16-9-13/h7-9,11-12H,5-6,10H2,1-4H3,(H2,15,16).
What are the key properties of 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide?
6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 79483194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).