N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide

C12H19FN2O3S — CID 90088134

IUPACN-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
SMILESCO[C@H](c1ccc(CNS(C)(=O)=O)cc1)[C@H](N)CF
InChIInChI=1S/C12H19FN2O3S/c1-18-12(11(14)7-13)10-5-3-9(4-6-10)8-15-19(2,16)17/h3-6,11-12,15H,7-8,14H2,1-2H3/t11-,12-/m1/s1
InChIKeyOTGSAIIYSVLRRN-VXGBXAGGSA-N
MW290.36 g/mol
LogP0.72
Rot. Bonds7

About N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide

N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide (PubChem CID 90088134) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
PubChem CID90088134
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC NameN-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
SMILESCO[C@H](c1ccc(CNS(C)(=O)=O)cc1)[C@H](N)CF
InChIInChI=1S/C12H19FN2O3S/c1-18-12(11(14)7-13)10-5-3-9(4-6-10)8-15-19(2,16)17/h3-6,11-12,15H,7-8,14H2,1-2H3/t11-,12-/m1/s1
InChIKeyOTGSAIIYSVLRRN-VXGBXAGGSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-{[(2S)-2-(4-Fluorophenyl)morpholin-4-yl]methyl}phenyl)ethyl]methanesulfonamide
CID 71660507
N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 91937936
N-[2-(2-Fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 71810659
N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 73168425
(E)-N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-phenylethenesulfonamide
CID 73168430
N-mesyl[(R)-2-methoxy-2-phenylbutyl]amine
CID 97428628
1-[3-Fluoro-4-(methoxymethyl)phenyl]butan-1-amine
CID 17934463
N-[(2R,3R)-2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
CID 24782006
(1R)-1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine
CID 57658921
1-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-4-(methylsulfonylmethyl)benzene
CID 59154951
1-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-4-(azidomethyl)benzene
CID 59154994
[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanamine
CID 59155017

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide (CID 90088134) is N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide is CO[C@H](c1ccc(CNS(C)(=O)=O)cc1)[C@H](N)CF.
What is the InChIKey of N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide?
The InChIKey is OTGSAIIYSVLRRN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-18-12(11(14)7-13)10-5-3-9(4-6-10)8-15-19(2,16)17/h3-6,11-12,15H,7-8,14H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide?
N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 90088134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).