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

C17H23FN2OS — CID 119939513

IUPACN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CCc2c(F)cccc2C1NC(=O)CC1CSCCN1
InChIInChI=1S/C17H23FN2OS/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)
InChIKeyCVAXFIAAJZBPEY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.66
Rot. Bonds3

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

N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119939513) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119939513
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CCc2c(F)cccc2C1NC(=O)CC1CSCCN1
InChIInChI=1S/C17H23FN2OS/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)
InChIKeyCVAXFIAAJZBPEY-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.66
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;hydrochloride
CID 119939512
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
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-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 71976301
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
CID 111861118
4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoylamino]butanoic acid
CID 122005494

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?
The IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide (CID 119939513) is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide is CC1CCc2c(F)cccc2C1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is CVAXFIAAJZBPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/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).
What are the key properties of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide?
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 322.45 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 119939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).