N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide

C12H16N4O2S — CID 106598642

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
SMILESCC(CN)(NS(=O)(=O)c1cccnc1C#N)C1CC1
InChIInChI=1S/C12H16N4O2S/c1-12(8-14,9-4-5-9)16-19(17,18)11-3-2-6-15-10(11)7-13/h2-3,6,9,16H,4-5,8,14H2,1H3
InChIKeyHXOKHVKUOQHZBM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.36
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106598642) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
PubChem CID106598642
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
SMILESCC(CN)(NS(=O)(=O)c1cccnc1C#N)C1CC1
InChIInChI=1S/C12H16N4O2S/c1-12(8-14,9-4-5-9)16-19(17,18)11-3-2-6-15-10(11)7-13/h2-3,6,9,16H,4-5,8,14H2,1H3
InChIKeyHXOKHVKUOQHZBM-UHFFFAOYSA-N
XLogP0.36
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 106546280
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 115307985
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide (CID 106598642) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide is CC(CN)(NS(=O)(=O)c1cccnc1C#N)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is HXOKHVKUOQHZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-12(8-14,9-4-5-9)16-19(17,18)11-3-2-6-15-10(11)7-13/h2-3,6,9,16H,4-5,8,14H2,1H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.36, 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-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).