2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide

C13H24N2OS — CID 112659458

IUPAC2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
SMILESCCC(CSC)N(C)C(=O)C(C#N)(CC)CC
InChIInChI=1S/C13H24N2OS/c1-6-11(9-17-5)15(4)12(16)13(7-2,8-3)10-14/h11H,6-9H2,1-5H3
InChIKeyVWGWYHPBAZNQNX-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.92
Rot. Bonds7

About 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide

2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide (PubChem CID 112659458) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
PubChem CID112659458
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
SMILESCCC(CSC)N(C)C(=O)C(C#N)(CC)CC
InChIInChI=1S/C13H24N2OS/c1-6-11(9-17-5)15(4)12(16)13(7-2,8-3)10-14/h11H,6-9H2,1-5H3
InChIKeyVWGWYHPBAZNQNX-UHFFFAOYSA-N
XLogP2.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide (CID 112659458) is 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide is CCC(CSC)N(C)C(=O)C(C#N)(CC)CC.
What is the InChIKey of 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
The InChIKey is VWGWYHPBAZNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-11(9-17-5)15(4)12(16)13(7-2,8-3)10-14/h11H,6-9H2,1-5H3.
What are the key properties of 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide has a molecular weight of 256.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide is sourced from PubChem (CID 112659458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).