N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H24ClFN2OS — CID 119939512

IUPACN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1CCc2c(F)cccc2C1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C17H23FN2OS.ClH/c1-11-5-6-13-14(3-2-4-15(13)18)17(11)20-16(21)9-12-10-22-8-7-19-12;/h2-4,11-12,17,19H,5-10H2,1H3,(H,20,21);1H
InChIKeyVYRBRXXQPBDPSW-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.08
Rot. Bonds3

About N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939512) has the molecular formula C17H24ClFN2OS and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939512
Molecular FormulaC17H24ClFN2OS
Molecular Weight358.91 g/mol
Exact Mass358.13
IUPAC NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1CCc2c(F)cccc2C1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C17H23FN2OS.ClH/c1-11-5-6-13-14(3-2-4-15(13)18)17(11)20-16(21)9-12-10-22-8-7-19-12;/h2-4,11-12,17,19H,5-10H2,1H3,(H,20,21);1H
InChIKeyVYRBRXXQPBDPSW-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939513
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95974141
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide
CID 107222130
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
1-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[(3R)-3-hydroxythiolan-3-yl]methyl]urea
CID 97092663
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 119329773
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939512) is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC1CCc2c(F)cccc2C1NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is VYRBRXXQPBDPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS.ClH/c1-11-5-6-13-14(3-2-4-15(13)18)17(11)20-16(21)9-12-10-22-8-7-19-12;/h2-4,11-12,17,19H,5-10H2,1H3,(H,20,21);1H.
What are the key properties of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).