2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide

C11H20N2OS — CID 112551674

IUPAC2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2OS/c1-6-9(7-15-5)13(4)10(14)11(2,3)8-12/h9H,6-7H2,1-5H3
InChIKeyXRYOABPIHOBMFZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.14
Rot. Bonds5

About 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide

2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide (PubChem CID 112551674) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
PubChem CID112551674
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2OS/c1-6-9(7-15-5)13(4)10(14)11(2,3)8-12/h9H,6-7H2,1-5H3
InChIKeyXRYOABPIHOBMFZ-UHFFFAOYSA-N
XLogP2.14
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659458
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide
CID 61060862
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
CID 112659179
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659141
2-[ethyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 112662766
N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112659089
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide (CID 112551674) is 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide is CCC(CSC)N(C)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is XRYOABPIHOBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-6-9(7-15-5)13(4)10(14)11(2,3)8-12/h9H,6-7H2,1-5H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 228.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 112551674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).