1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one

C18H21NO2S — CID 25447592

IUPAC1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C18H21NO2S/c20-18(7-6-16-8-11-22-14-16)19-9-10-21-17(13-19)12-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2/t17-/m0/s1
InChIKeyHJYHIQPCENNFMG-KRWDZBQOSA-N
MW315.44 g/mol
LogP3.15
Rot. Bonds5

About 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one

1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 25447592) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID25447592
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C18H21NO2S/c20-18(7-6-16-8-11-22-14-16)19-9-10-21-17(13-19)12-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2/t17-/m0/s1
InChIKeyHJYHIQPCENNFMG-KRWDZBQOSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
(2S)-1-benzyl-4-(3-thiophen-3-ylpropanoyl)piperazine-2-carbonitrile
CID 95967677
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[2-(2-aminoethyl)morpholin-4-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 154908174

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one (CID 25447592) is 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is HJYHIQPCENNFMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-18(7-6-16-8-11-22-14-16)19-9-10-21-17(13-19)12-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one?
1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 315.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 25447592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).