N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

C16H25N3OS — CID 119508146

IUPACN-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCCNCCNC(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-2-17-8-9-18-16(20)15(14-6-4-3-5-7-14)19-10-12-21-13-11-19/h3-7,15,17H,2,8-13H2,1H3,(H,18,20)
InChIKeyJEGMADNZNIQRGC-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.50
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 119508146) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID119508146
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCCNCCNC(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-2-17-8-9-18-16(20)15(14-6-4-3-5-7-14)19-10-12-21-13-11-19/h3-7,15,17H,2,8-13H2,1H3,(H,18,20)
InChIKeyJEGMADNZNIQRGC-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone;dihydrochloride
CID 119647225
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 51099897
(2S)-2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 94819164

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 119508146) is N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is CCNCCNC(=O)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is JEGMADNZNIQRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-17-8-9-18-16(20)15(14-6-4-3-5-7-14)19-10-12-21-13-11-19/h3-7,15,17H,2,8-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 307.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 119508146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).