4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide

C13H17FN2O2S — CID 107031927

IUPAC4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCOC(CNC(=O)c2ccc(F)c(S)c2)C1
InChIInChI=1S/C13H17FN2O2S/c1-16-4-5-18-10(8-16)7-15-13(17)9-2-3-11(14)12(19)6-9/h2-3,6,10,19H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyXJPFJIDZRHIMJO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.17
Rot. Bonds3

About 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide

4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide (PubChem CID 107031927) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
PubChem CID107031927
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCOC(CNC(=O)c2ccc(F)c(S)c2)C1
InChIInChI=1S/C13H17FN2O2S/c1-16-4-5-18-10(8-16)7-15-13(17)9-2-3-11(14)12(19)6-9/h2-3,6,10,19H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyXJPFJIDZRHIMJO-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-5-nitrobenzamide
CID 79078973
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide (CID 107031927) is 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide is CN1CCOC(CNC(=O)c2ccc(F)c(S)c2)C1.
What is the InChIKey of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is XJPFJIDZRHIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-16-4-5-18-10(8-16)7-15-13(17)9-2-3-11(14)12(19)6-9/h2-3,6,10,19H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide?
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107031927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).