N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C18H29Cl2N3OS — CID 119941703

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCC(CNC(=O)CC1CSCCN1)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C18H27N3OS.2ClH/c1-14(11-20-18(22)10-17-13-23-9-7-19-17)21-8-6-15-4-2-3-5-16(15)12-21;;/h2-5,14,17,19H,6-13H2,1H3,(H,20,22);2*1H
InChIKeyQOEIXNDXYKMFOQ-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941703) has the molecular formula C18H29Cl2N3OS and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941703
Molecular FormulaC18H29Cl2N3OS
Molecular Weight406.42 g/mol
Exact Mass405.14
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCC(CNC(=O)CC1CSCCN1)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C18H27N3OS.2ClH/c1-14(11-20-18(22)10-17-13-23-9-7-19-17)21-8-6-15-4-2-3-5-16(15)12-21;;/h2-5,14,17,19H,6-13H2,1H3,(H,20,22);2*1H
InChIKeyQOEIXNDXYKMFOQ-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119942620
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119868130
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32925892
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 119868155
N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940987
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121019

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941703) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CC(CNC(=O)CC1CSCCN1)N1CCc2ccccc2C1.Cl.Cl.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is QOEIXNDXYKMFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS.2ClH/c1-14(11-20-18(22)10-17-13-23-9-7-19-17)21-8-6-15-4-2-3-5-16(15)12-21;;/h2-5,14,17,19H,6-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 406.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).