2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide

C9H16N2O3S — CID 78924769

IUPAC2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(C)(C)C#N
InChIInChI=1S/C9H16N2O3S/c1-9(2,7-10)8(12)11(3)5-6-15(4,13)14/h5-6H2,1-4H3
InChIKeyWPJMLNNTBGZJGA-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.04
Rot. Bonds4

About 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide

2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 78924769) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID78924769
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(C)(C)C#N
InChIInChI=1S/C9H16N2O3S/c1-9(2,7-10)8(12)11(3)5-6-15(4,13)14/h5-6H2,1-4H3
InChIKeyWPJMLNNTBGZJGA-UHFFFAOYSA-N
XLogP0.04
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
CID 107199534
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
2-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79850861
2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115175244
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79864879
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
methyl 2-[methyl(2-methylsulfonylethyl)amino]-2-oxoacetate
CID 112617435
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79858456
2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115175144
2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79849868
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 115175246
4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864148

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide (CID 78924769) is 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide is CN(CCS(C)(=O)=O)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is WPJMLNNTBGZJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2,7-10)8(12)11(3)5-6-15(4,13)14/h5-6H2,1-4H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide?
2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 232.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 78924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).