N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide

C10H13N3O2S — CID 63687678

IUPACN-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H13N3O2S/c1-10(2,3)16(14,15)13-9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3,(H,12,13)
InChIKeyGORBNVHXNNHRIB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.49
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide

N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide (PubChem CID 63687678) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
PubChem CID63687678
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H13N3O2S/c1-10(2,3)16(14,15)13-9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3,(H,12,13)
InChIKeyGORBNVHXNNHRIB-UHFFFAOYSA-N
XLogP1.49
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide
CID 75458416
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874149
2,5-dichloro-N-(5-cyano-2-pyridinyl)thiophene-3-sulfonamide
CID 62355556
N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
CID 63687650
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
N-(5-cyano-2-pyridinyl)formamide
CID 64992105
ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
CID 55063325
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide (CID 63687678) is N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide?
The InChIKey is GORBNVHXNNHRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-10(2,3)16(14,15)13-9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3,(H,12,13).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide?
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63687678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).