N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H20Cl2N2OS — CID 119935389

IUPACN-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CSCCN1)c1ccccc1Cl.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/c1-10(12-4-2-3-5-13(12)15)17-14(18)8-11-9-19-7-6-16-11;/h2-5,10-11,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyHPZFQCORXDUFIH-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935389) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935389
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CSCCN1)c1ccccc1Cl.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/c1-10(12-4-2-3-5-13(12)15)17-14(18)8-11-9-19-7-6-16-11;/h2-5,10-11,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyHPZFQCORXDUFIH-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939548
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936465
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935389) is N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(NC(=O)CC1CSCCN1)c1ccccc1Cl.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HPZFQCORXDUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS.ClH/c1-10(12-4-2-3-5-13(12)15)17-14(18)8-11-9-19-7-6-16-11;/h2-5,10-11,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 335.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).