N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide

C11H18N2O2S — CID 62996977

IUPACN-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide
SMILESCN(CCC#N)C(=O)CSC1CCOCC1
InChIInChI=1S/C11H18N2O2S/c1-13(6-2-5-12)11(14)9-16-10-3-7-15-8-4-10/h10H,2-4,6-9H2,1H3
InChIKeyIKYVBNCTMQSUJQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.27
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide (PubChem CID 62996977) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide
PubChem CID62996977
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide
SMILESCN(CCC#N)C(=O)CSC1CCOCC1
InChIInChI=1S/C11H18N2O2S/c1-13(6-2-5-12)11(14)9-16-10-3-7-15-8-4-10/h10H,2-4,6-9H2,1H3
InChIKeyIKYVBNCTMQSUJQ-UHFFFAOYSA-N
XLogP1.27
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide (CID 62996977) is N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide is CN(CCC#N)C(=O)CSC1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide?
The InChIKey is IKYVBNCTMQSUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-13(6-2-5-12)11(14)9-16-10-3-7-15-8-4-10/h10H,2-4,6-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide has a molecular weight of 242.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(oxan-4-ylsulfanyl)acetamide is sourced from PubChem (CID 62996977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).