N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide

C13H22N2O2S — CID 80709417

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
SMILESCOCCN(CCC#N)C(=O)CC1CCSCC1
InChIInChI=1S/C13H22N2O2S/c1-17-8-7-15(6-2-5-14)13(16)11-12-3-9-18-10-4-12/h12H,2-4,6-11H2,1H3
InChIKeyTZIXJKIKAWREAC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.91
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide (PubChem CID 80709417) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
PubChem CID80709417
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
SMILESCOCCN(CCC#N)C(=O)CC1CCSCC1
InChIInChI=1S/C13H22N2O2S/c1-17-8-7-15(6-2-5-14)13(16)11-12-3-9-18-10-4-12/h12H,2-4,6-11H2,1H3
InChIKeyTZIXJKIKAWREAC-UHFFFAOYSA-N
XLogP1.91
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)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-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide (CID 80709417) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide is COCCN(CCC#N)C(=O)CC1CCSCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
The InChIKey is TZIXJKIKAWREAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-17-8-7-15(6-2-5-14)13(16)11-12-3-9-18-10-4-12/h12H,2-4,6-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide has a molecular weight of 270.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 80709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).