N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide

C10H17N3OS — CID 43288869

IUPACN-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
SMILESCN(CCC#N)C(=O)CN1CCSCC1
InChIInChI=1S/C10H17N3OS/c1-12(4-2-3-11)10(14)9-13-5-7-15-8-6-13/h2,4-9H2,1H3
InChIKeyJTLWDOYSHXLSRJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.41
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide

N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide (PubChem CID 43288869) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
PubChem CID43288869
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
SMILESCN(CCC#N)C(=O)CN1CCSCC1
InChIInChI=1S/C10H17N3OS/c1-12(4-2-3-11)10(14)9-13-5-7-15-8-6-13/h2,4-9H2,1H3
InChIKeyJTLWDOYSHXLSRJ-UHFFFAOYSA-N
XLogP0.41
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(1,4-thiazepan-4-yl)acetamide
CID 61419019
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-methylacetamide
CID 95315523
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 43213986
N-(2-cyanoethyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 43214087
N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 113231239
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
CID 95308677

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide (CID 43288869) is N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide is CN(CCC#N)C(=O)CN1CCSCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is JTLWDOYSHXLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-12(4-2-3-11)10(14)9-13-5-7-15-8-6-13/h2,4-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide?
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 227.33 g/mol, XLogP of 0.41, 4 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-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 43288869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).