[(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine

C12H17FN2O3S — CID 42252896

IUPAC[(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-9-6-11(2-3-12(9)13)19(16,17)15-4-5-18-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m0/s1
InChIKeyURBHECWIVXQVLL-JTQLQIEISA-N
MW288.34 g/mol
LogP0.48
Rot. Bonds3

About [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine

[(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 42252896) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID42252896
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name[(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-9-6-11(2-3-12(9)13)19(16,17)15-4-5-18-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m0/s1
InChIKeyURBHECWIVXQVLL-JTQLQIEISA-N
XLogP0.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 44526974
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
HEA derivative, 7c
CID 57340058
HEA derivative, 7d
CID 57340059
N-(2-Morpholin-4-yl-ethyl)-3-trifluoromethyl-benzenesulfonamide
CID 23724447

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine (CID 42252896) is [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine is Cc1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)ccc1F.
What is the InChIKey of [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is URBHECWIVXQVLL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-9-6-11(2-3-12(9)13)19(16,17)15-4-5-18-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
[(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 288.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 42252896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).