(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide

C15H21N3O2S — CID 95293657

IUPAC(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCN(CC(N)=O)C(=O)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C15H21N3O2S/c1-17(11-13(16)19)15(20)14(12-5-3-2-4-6-12)18-7-9-21-10-8-18/h2-6,14H,7-11H2,1H3,(H2,16,19)/t14-/m0/s1
InChIKeyAMPZGCJGTPKEOY-AWEZNQCLSA-N
MW307.42 g/mol
LogP0.72
Rot. Bonds5

About (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide

(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 95293657) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID95293657
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCN(CC(N)=O)C(=O)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C15H21N3O2S/c1-17(11-13(16)19)15(20)14(12-5-3-2-4-6-12)18-7-9-21-10-8-18/h2-6,14H,7-11H2,1H3,(H2,16,19)/t14-/m0/s1
InChIKeyAMPZGCJGTPKEOY-AWEZNQCLSA-N
XLogP0.72
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119660216
(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95284461
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 51099887
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 95293657) is (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide is CN(CC(N)=O)C(=O)[C@H](c1ccccc1)N1CCSCC1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is AMPZGCJGTPKEOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17(11-13(16)19)15(20)14(12-5-3-2-4-6-12)18-7-9-21-10-8-18/h2-6,14H,7-11H2,1H3,(H2,16,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 307.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 95293657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).