N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide

C14H21N3OS — CID 119384567

IUPACN-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESNCCNC(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C14H21N3OS/c15-6-7-16-14(18)13(12-4-2-1-3-5-12)17-8-10-19-11-9-17/h1-5,13H,6-11,15H2,(H,16,18)
InChIKeyJYVXBBQQVBXEIS-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.85
Rot. Bonds5

About N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide

N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 119384567) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID119384567
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESNCCNC(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C14H21N3OS/c15-6-7-16-14(18)13(12-4-2-1-3-5-12)17-8-10-19-11-9-17/h1-5,13H,6-11,15H2,(H,16,18)
InChIKeyJYVXBBQQVBXEIS-UHFFFAOYSA-N
XLogP0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide
CID 119481514
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
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
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 119384567) is N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide is NCCNC(=O)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is JYVXBBQQVBXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c15-6-7-16-14(18)13(12-4-2-1-3-5-12)17-8-10-19-11-9-17/h1-5,13H,6-11,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 279.41 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 119384567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).