2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride

C14H18ClF3N2OS — CID 119935770

IUPAC2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)11-3-1-10(2-4-11)8-19-13(20)7-12-9-21-6-5-18-12;/h1-4,12,18H,5-9H2,(H,19,20);1H
InChIKeyVSERJZLRSDWTGH-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.84
Rot. Bonds4

About 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride

2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119935770) has the molecular formula C14H18ClF3N2OS and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119935770
Molecular FormulaC14H18ClF3N2OS
Molecular Weight354.83 g/mol
Exact Mass354.08
IUPAC Name2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)11-3-1-10(2-4-11)8-19-13(20)7-12-9-21-6-5-18-12;/h1-4,12,18H,5-9H2,(H,19,20);1H
InChIKeyVSERJZLRSDWTGH-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;dihydrochloride
CID 119941652
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119935574
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119941653
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride (CID 119935770) is 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is VSERJZLRSDWTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)11-3-1-10(2-4-11)8-19-13(20)7-12-9-21-6-5-18-12;/h1-4,12,18H,5-9H2,(H,19,20);1H.
What are the key properties of 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119935770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).