N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C16H27Cl2N3O2S — CID 119941065

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN(C)CCOc1cccc(NC(=O)CC2CSCCN2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2S.2ClH/c1-19(2)7-8-21-15-5-3-4-13(10-15)18-16(20)11-14-12-22-9-6-17-14;;/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,18,20);2*1H
InChIKeyXJLUXQIILVSBJX-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.50
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941065) has the molecular formula C16H27Cl2N3O2S and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941065
Molecular FormulaC16H27Cl2N3O2S
Molecular Weight396.38 g/mol
Exact Mass395.12
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN(C)CCOc1cccc(NC(=O)CC2CSCCN2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2S.2ClH/c1-19(2)7-8-21-15-5-3-4-13(10-15)18-16(20)11-14-12-22-9-6-17-14;;/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,18,20);2*1H
InChIKeyXJLUXQIILVSBJX-UHFFFAOYSA-N
XLogP2.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936409
N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939161
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941065) is N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CN(C)CCOc1cccc(NC(=O)CC2CSCCN2)c1.Cl.Cl.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is XJLUXQIILVSBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S.2ClH/c1-19(2)7-8-21-15-5-3-4-13(10-15)18-16(20)11-14-12-22-9-6-17-14;;/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 396.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).