N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide

C12H18N4O2S — CID 114614909

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H18N4O2S/c1-9(2)12(3,8-14)16-19(17,18)11-5-4-10(6-13)15-7-11/h4-5,7,9,16H,8,14H2,1-3H3
InChIKeyFBFYAAQDWFFGAC-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.60
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide (PubChem CID 114614909) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
PubChem CID114614909
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H18N4O2S/c1-9(2)12(3,8-14)16-19(17,18)11-5-4-10(6-13)15-7-11/h4-5,7,9,16H,8,14H2,1-3H3
InChIKeyFBFYAAQDWFFGAC-UHFFFAOYSA-N
XLogP0.60
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
CID 115752426
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
CID 115310566
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
CID 115752512
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115310721
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide (CID 114614909) is N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is FBFYAAQDWFFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9(2)12(3,8-14)16-19(17,18)11-5-4-10(6-13)15-7-11/h4-5,7,9,16H,8,14H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 114614909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).