2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide

C11H20N2O3S — CID 114291661

IUPAC2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-6-11(4,7-12)9(14)13-8-10(2,3)17(5,15)16/h6,8H2,1-5H3,(H,13,14)
InChIKeyTYOBJDXBBRLEOB-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.87
Rot. Bonds5

About 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide

2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide (PubChem CID 114291661) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
PubChem CID114291661
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-6-11(4,7-12)9(14)13-8-10(2,3)17(5,15)16/h6,8H2,1-5H3,(H,13,14)
InChIKeyTYOBJDXBBRLEOB-UHFFFAOYSA-N
XLogP0.87
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide 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

2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
CID 114175317
3-amino-2,2-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79563054
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
2-cyano-2-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 114290942
2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 113270427
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide (CID 114291661) is 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide is CCC(C)(C#N)C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
The InChIKey is TYOBJDXBBRLEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-6-11(4,7-12)9(14)13-8-10(2,3)17(5,15)16/h6,8H2,1-5H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide has a molecular weight of 260.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide is sourced from PubChem (CID 114291661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).