N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide

C11H19N3OS — CID 43288865

IUPACN-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide
SMILESCN(CCC#N)C(=O)CCN1CCSCC1
InChIInChI=1S/C11H19N3OS/c1-13(5-2-4-12)11(15)3-6-14-7-9-16-10-8-14/h2-3,5-10H2,1H3
InChIKeyWZUBYQJXIIUHEX-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.80
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide

N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide (PubChem CID 43288865) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide
PubChem CID43288865
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide
SMILESCN(CCC#N)C(=O)CCN1CCSCC1
InChIInChI=1S/C11H19N3OS/c1-13(5-2-4-12)11(15)3-6-14-7-9-16-10-8-14/h2-3,5-10H2,1H3
InChIKeyWZUBYQJXIIUHEX-UHFFFAOYSA-N
XLogP0.80
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.80
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-3-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide (CID 43288865) is N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide is CN(CCC#N)C(=O)CCN1CCSCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide?
The InChIKey is WZUBYQJXIIUHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-13(5-2-4-12)11(15)3-6-14-7-9-16-10-8-14/h2-3,5-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide?
N-(2-cyanoethyl)-N-methyl-3-thiomorpholin-4-ylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 0.80, 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-3-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 43288865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).