N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide

C13H16F2N2OS — CID 82909229

IUPACN-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1CSCCN1
InChIInChI=1S/C13H16F2N2OS/c1-17(13(18)12-8-19-5-4-16-12)7-9-2-3-10(14)6-11(9)15/h2-3,6,12,16H,4-5,7-8H2,1H3
InChIKeyNDSHOIFUISOWQW-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.63
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 82909229) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID82909229
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1CSCCN1
InChIInChI=1S/C13H16F2N2OS/c1-17(13(18)12-8-19-5-4-16-12)7-9-2-3-10(14)6-11(9)15/h2-3,6,12,16H,4-5,7-8H2,1H3
InChIKeyNDSHOIFUISOWQW-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909397
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82908410
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 103795055
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
CID 104913311
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide (CID 82909229) is N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)C1CSCCN1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is NDSHOIFUISOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c1-17(13(18)12-8-19-5-4-16-12)7-9-2-3-10(14)6-11(9)15/h2-3,6,12,16H,4-5,7-8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82909229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).