(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine

C12H17FN2O3S — CID 120706863

IUPAC(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(C)c1F
InChIInChI=1S/C12H17FN2O3S/c1-8-11(4-3-10(18-2)12(8)13)19(16,17)15-6-5-9(14)7-15/h3-4,9H,5-7,14H2,1-2H3/t9-/m1/s1
InChIKeyUWKFASTUTCRPHM-SECBINFHSA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds3

About (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine

(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 120706863) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID120706863
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(C)c1F
InChIInChI=1S/C12H17FN2O3S/c1-8-11(4-3-10(18-2)12(8)13)19(16,17)15-6-5-9(14)7-15/h3-4,9H,5-7,14H2,1-2H3/t9-/m1/s1
InChIKeyUWKFASTUTCRPHM-SECBINFHSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 120710416
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710861
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971570
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725545
[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711647
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine (CID 120706863) is (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine is COc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(C)c1F.
What is the InChIKey of (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is UWKFASTUTCRPHM-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8-11(4-3-10(18-2)12(8)13)19(16,17)15-6-5-9(14)7-15/h3-4,9H,5-7,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine?
(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 288.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 120706863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).