N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H18ClF3N2OS — CID 119936226

IUPACN-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1c(NC(=O)CC2CSCCN2)cccc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2OS.ClH/c1-9-11(14(15,16)17)3-2-4-12(9)19-13(20)7-10-8-21-6-5-18-10;/h2-4,10,18H,5-8H2,1H3,(H,19,20);1H
InChIKeyMBDPJNZABYMVDJ-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.47
Rot. Bonds3

About N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936226) has the molecular formula C14H18ClF3N2OS and a molecular weight of 354.83 g/mol. Its IUPAC name is N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936226
Molecular FormulaC14H18ClF3N2OS
Molecular Weight354.83 g/mol
Exact Mass354.08
IUPAC NameN-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1c(NC(=O)CC2CSCCN2)cccc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2OS.ClH/c1-9-11(14(15,16)17)3-2-4-12(9)19-13(20)7-10-8-21-6-5-18-10;/h2-4,10,18H,5-8H2,1H3,(H,19,20);1H
InChIKeyMBDPJNZABYMVDJ-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66420632
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936226) is N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1c(NC(=O)CC2CSCCN2)cccc1C(F)(F)F.Cl.
What is the InChIKey of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is MBDPJNZABYMVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS.ClH/c1-9-11(14(15,16)17)3-2-4-12(9)19-13(20)7-10-8-21-6-5-18-10;/h2-4,10,18H,5-8H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).