N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide

C13H17FN2OS — CID 82905900

IUPACN-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1CSCCN1
InChIInChI=1S/C13H17FN2OS/c1-16(8-10-4-2-3-5-11(10)14)13(17)12-9-18-7-6-15-12/h2-5,12,15H,6-9H2,1H3
InChIKeyTYFGUYDAKDZJQE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.49
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 82905900) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID82905900
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1CSCCN1
InChIInChI=1S/C13H17FN2OS/c1-16(8-10-4-2-3-5-11(10)14)13(17)12-9-18-7-6-15-12/h2-5,12,15H,6-9H2,1H3
InChIKeyTYFGUYDAKDZJQE-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909229
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178036
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 93367241
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909397
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide (CID 82905900) is N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide is CN(Cc1ccccc1F)C(=O)C1CSCCN1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is TYFGUYDAKDZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-16(8-10-4-2-3-5-11(10)14)13(17)12-9-18-7-6-15-12/h2-5,12,15H,6-9H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82905900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).