N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide

C11H16N2O2S — CID 96568406

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CSCC(=O)N[C@@](C)(C#N)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-8(14)5-16-6-10(15)13-11(2,7-12)9-3-4-9/h9H,3-6H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyOYIJKNAFRMJHDZ-NSHDSACASA-N
MW240.33 g/mol
LogP1.12
Rot. Bonds6

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide (PubChem CID 96568406) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide
PubChem CID96568406
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CSCC(=O)N[C@@](C)(C#N)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-8(14)5-16-6-10(15)13-11(2,7-12)9-3-4-9/h9H,3-6H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyOYIJKNAFRMJHDZ-NSHDSACASA-N
XLogP1.12
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide (CID 96568406) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide is CC(=O)CSCC(=O)N[C@@](C)(C#N)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide?
The InChIKey is OYIJKNAFRMJHDZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(14)5-16-6-10(15)13-11(2,7-12)9-3-4-9/h9H,3-6H2,1-2H3,(H,13,15)/t11-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide is sourced from PubChem (CID 96568406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).