N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide

C13H14FN3OS — CID 66420632

IUPACN-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESN#Cc1c(F)cccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C13H14FN3OS/c14-11-2-1-3-12(10(11)7-15)17-13(18)6-9-8-19-5-4-16-9/h1-3,9,16H,4-6,8H2,(H,17,18)
InChIKeyDGSNQOBVNQGFPG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide

N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420632) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420632
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESN#Cc1c(F)cccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C13H14FN3OS/c14-11-2-1-3-12(10(11)7-15)17-13(18)6-9-8-19-5-4-16-9/h1-3,9,16H,4-6,8H2,(H,17,18)
InChIKeyDGSNQOBVNQGFPG-UHFFFAOYSA-N
XLogP1.73
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-(4-bromo-2-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 82708529
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936226
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide (CID 66420632) is N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide is N#Cc1c(F)cccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is DGSNQOBVNQGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-11-2-1-3-12(10(11)7-15)17-13(18)6-9-8-19-5-4-16-9/h1-3,9,16H,4-6,8H2,(H,17,18).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).