N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide

C9H11N3O2S — CID 61128072

IUPACN-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H11N3O2S/c1-9(2,7-10)12-15(13,14)8-4-3-5-11-6-8/h3-6,12H,1-2H3
InChIKeyYWBMSFQSYILIPX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.66
Rot. Bonds3

About N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide

N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide (PubChem CID 61128072) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
PubChem CID61128072
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H11N3O2S/c1-9(2,7-10)12-15(13,14)8-4-3-5-11-6-8/h3-6,12H,1-2H3
InChIKeyYWBMSFQSYILIPX-UHFFFAOYSA-N
XLogP0.66
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 114152612
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 61128073
N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300602
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(2-cyanopropan-2-yl)-4-nitrobenzenesulfonamide
CID 61127910
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
CID 43624461
N-propylpyridine-3-sulfonamide
CID 43258995
4-(cyanomethyl)-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 79185657
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide (CID 61128072) is N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide is CC(C)(C#N)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is YWBMSFQSYILIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-9(2,7-10)12-15(13,14)8-4-3-5-11-6-8/h3-6,12H,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide?
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61128072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).