N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide

C13H17FN2O3S — CID 75470295

IUPACN-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccc(S(C)=O)c(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-16-5-6-19-11(8-16)13(17)15-9-3-4-12(20(2)18)10(14)7-9/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyATHNXGZAMGIPRW-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.83
Rot. Bonds3

About N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide

N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide (PubChem CID 75470295) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
PubChem CID75470295
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC NameN-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccc(S(C)=O)c(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-16-5-6-19-11(8-16)13(17)15-9-3-4-12(20(2)18)10(14)7-9/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyATHNXGZAMGIPRW-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide
CID 97330305
N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
CID 146336709
tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
1-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-(4-hydroxyphenyl)urea
CID 99787019
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
CID 127412838
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695
(3R)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-methylsulfanylazepane-1-carboxamide
CID 124591823
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide
CID 95904687
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide (CID 75470295) is N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)Nc2ccc(S(C)=O)c(F)c2)C1.
What is the InChIKey of N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is ATHNXGZAMGIPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-16-5-6-19-11(8-16)13(17)15-9-3-4-12(20(2)18)10(14)7-9/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide?
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75470295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).