2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide

C11H18N2OS — CID 107296190

IUPAC2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H18N2OS/c1-3-11(2,8-12)10(14)13-6-9-4-5-15-7-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyOBINYSYJYKXUAG-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.80
Rot. Bonds4

About 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide

2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107296190) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
PubChem CID107296190
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H18N2OS/c1-3-11(2,8-12)10(14)13-6-9-4-5-15-7-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyOBINYSYJYKXUAG-UHFFFAOYSA-N
XLogP1.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide (CID 107296190) is 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide is CCC(C)(C#N)C(=O)NCC1CCSC1.
What is the InChIKey of 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is OBINYSYJYKXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-11(2,8-12)10(14)13-6-9-4-5-15-7-9/h9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide?
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107296190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).