1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone

C18H21NO2S — CID 110327319

IUPAC1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)Cc1cccs1
InChIInChI=1S/C18H21NO2S/c1-18(2)13-21-16(14-7-4-3-5-8-14)12-19(18)17(20)11-15-9-6-10-22-15/h3-10,16H,11-13H2,1-2H3
InChIKeyPDGXMMIELBFYJK-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds3

About 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone (PubChem CID 110327319) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
PubChem CID110327319
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)Cc1cccs1
InChIInChI=1S/C18H21NO2S/c1-18(2)13-21-16(14-7-4-3-5-8-14)12-19(18)17(20)11-15-9-6-10-22-15/h3-10,16H,11-13H2,1-2H3
InChIKeyPDGXMMIELBFYJK-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 86883627
1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 115269326
3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
CID 119769752
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 110348231

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone (CID 110327319) is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone is CC1(C)COC(c2ccccc2)CN1C(=O)Cc1cccs1.
What is the InChIKey of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone?
The InChIKey is PDGXMMIELBFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2)13-21-16(14-7-4-3-5-8-14)12-19(18)17(20)11-15-9-6-10-22-15/h3-10,16H,11-13H2,1-2H3.
What are the key properties of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone?
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone has a molecular weight of 315.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 110327319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).