2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride

C14H23Cl2N3OS — CID 119853604

IUPAC2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCN1CCSCC1)c1ccccc1
InChIInChI=1S/C14H21N3OS.2ClH/c15-13(12-4-2-1-3-5-12)14(18)16-6-7-17-8-10-19-11-9-17;;/h1-5,13H,6-11,15H2,(H,16,18);2*1H
InChIKeyQGFLFBUDAKBEHB-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride

2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride (PubChem CID 119853604) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
PubChem CID119853604
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC Name2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCN1CCSCC1)c1ccccc1
InChIInChI=1S/C14H21N3OS.2ClH/c15-13(12-4-2-1-3-5-12)14(18)16-6-7-17-8-10-19-11-9-17;;/h1-5,13H,6-11,15H2,(H,16,18);2*1H
InChIKeyQGFLFBUDAKBEHB-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119868874
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-phenylacetamide;dihydrochloride
CID 119851308
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride (CID 119853604) is 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCCN1CCSCC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
The InChIKey is QGFLFBUDAKBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c15-13(12-4-2-1-3-5-12)14(18)16-6-7-17-8-10-19-11-9-17;;/h1-5,13H,6-11,15H2,(H,16,18);2*1H.
What are the key properties of 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119853604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).