(1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine

C13H18FNO3S — CID 90088043

IUPAC(1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine
SMILESCO[C@H](c1ccc(S(=O)(=O)C2CC2)cc1)[C@H](N)CF
InChIInChI=1S/C13H18FNO3S/c1-18-13(12(15)8-14)9-2-4-10(5-3-9)19(16,17)11-6-7-11/h2-5,11-13H,6-8,15H2,1H3/t12-,13-/m1/s1
InChIKeyUJYWQAUWZDLSQS-CHWSQXEVSA-N
MW287.36 g/mol
LogP1.61
Rot. Bonds6

About (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine

(1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine (PubChem CID 90088043) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine
PubChem CID90088043
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name(1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine
SMILESCO[C@H](c1ccc(S(=O)(=O)C2CC2)cc1)[C@H](N)CF
InChIInChI=1S/C13H18FNO3S/c1-18-13(12(15)8-14)9-2-4-10(5-3-9)19(16,17)11-6-7-11/h2-5,11-13H,6-8,15H2,1H3/t12-,13-/m1/s1
InChIKeyUJYWQAUWZDLSQS-CHWSQXEVSA-N
XLogP1.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine?
The IUPAC name of (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine (CID 90088043) is (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine.
What is the SMILES notation for (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine?
The canonical SMILES for (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine is CO[C@H](c1ccc(S(=O)(=O)C2CC2)cc1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine?
The InChIKey is UJYWQAUWZDLSQS-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-18-13(12(15)8-14)9-2-4-10(5-3-9)19(16,17)11-6-7-11/h2-5,11-13H,6-8,15H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine?
(1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine has a molecular weight of 287.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-cyclopropylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-amine is sourced from PubChem (CID 90088043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).