thiomorpholin-4-yl 2-phenylacetate

C12H15NO2S — CID 174483517

IUPACthiomorpholin-4-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)ON1CCSCC1
InChIInChI=1S/C12H15NO2S/c14-12(10-11-4-2-1-3-5-11)15-13-6-8-16-9-7-13/h1-5H,6-10H2
InChIKeyICNNVBUHKBKOFW-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.74
Rot. Bonds3

About thiomorpholin-4-yl 2-phenylacetate

thiomorpholin-4-yl 2-phenylacetate (PubChem CID 174483517) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is thiomorpholin-4-yl 2-phenylacetate.

Molecular Properties

Compound Namethiomorpholin-4-yl 2-phenylacetate
PubChem CID174483517
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Namethiomorpholin-4-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)ON1CCSCC1
InChIInChI=1S/C12H15NO2S/c14-12(10-11-4-2-1-3-5-11)15-13-6-8-16-9-7-13/h1-5H,6-10H2
InChIKeyICNNVBUHKBKOFW-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-thiomorpholin-4-ylacetamide
CID 67639755
(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid
CID 682262
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
CID 174393592
CID 174393592
methylsilyl 2-phenylacetate
CID 148919799
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
2-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 70468668
CID 172801156
CID 172801156
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
cyclopropyl 2-phenylacetate
CID 135066962
benzyl 1,3-thiazolidine-3-carboxylate
CID 139958620
(2-phenylacetyl) propanoate
CID 91029268

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl 2-phenylacetate?
The IUPAC name of thiomorpholin-4-yl 2-phenylacetate (CID 174483517) is thiomorpholin-4-yl 2-phenylacetate.
What is the SMILES notation for thiomorpholin-4-yl 2-phenylacetate?
The canonical SMILES for thiomorpholin-4-yl 2-phenylacetate is O=C(Cc1ccccc1)ON1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl 2-phenylacetate?
The InChIKey is ICNNVBUHKBKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(10-11-4-2-1-3-5-11)15-13-6-8-16-9-7-13/h1-5H,6-10H2.
What are the key properties of thiomorpholin-4-yl 2-phenylacetate?
thiomorpholin-4-yl 2-phenylacetate has a molecular weight of 237.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl 2-phenylacetate is sourced from PubChem (CID 174483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).