(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine

C17H19FN2O2S — CID 91041908

IUPAC(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](N)C2)c(F)c1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)17-5-3-2-4-14(17)12-6-7-16(15(18)10-12)20-9-8-13(19)11-20/h2-7,10,13H,8-9,11,19H2,1H3/t13-/m0/s1
InChIKeyAZLKQXUZCBNZIB-ZDUSSCGKSA-N
MW334.42 g/mol
LogP2.43
Rot. Bonds3

About (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine

(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine (PubChem CID 91041908) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine
PubChem CID91041908
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](N)C2)c(F)c1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)17-5-3-2-4-14(17)12-6-7-16(15(18)10-12)20-9-8-13(19)11-20/h2-7,10,13H,8-9,11,19H2,1H3/t13-/m0/s1
InChIKeyAZLKQXUZCBNZIB-ZDUSSCGKSA-N
XLogP2.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
CID 22313503
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,2,4,5-tetrahydropyrazolo[3,4-c]pyridine
CID 141036855
1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-methoxyindole-2,3-dione
CID 10165040
2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide
CID 90834419
1-(4-chlorophenyl)-3-[(3R)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]urea
CID 129227177
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
CID 22313526
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carbothioamide
CID 87457594
(3S)-1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carbothioamide
CID 87457593
3-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-6-methoxy-1,3-benzoxazol-2-one
CID 10185869
2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
CID 67060455
3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 71971828

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine (CID 91041908) is (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine is CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](N)C2)c(F)c1.
What is the InChIKey of (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine?
The InChIKey is AZLKQXUZCBNZIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-23(21,22)17-5-3-2-4-14(17)12-6-7-16(15(18)10-12)20-9-8-13(19)11-20/h2-7,10,13H,8-9,11,19H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine?
(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine has a molecular weight of 334.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 91041908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).