3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine

C17H20FN3O3S — CID 164640825

IUPAC3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN3O3S/c1-12-9-16(17(19)20-10-12)25(22,23)21-8-2-3-14(21)11-24-15-6-4-13(18)5-7-15/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,19,20)/t14-/m1/s1
InChIKeyXFRHZOVKQWMYTK-CQSZACIVSA-N
MW365.43 g/mol
LogP2.34
Rot. Bonds5

About 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine

3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine (PubChem CID 164640825) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine
PubChem CID164640825
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN3O3S/c1-12-9-16(17(19)20-10-12)25(22,23)21-8-2-3-14(21)11-24-15-6-4-13(18)5-7-15/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,19,20)/t14-/m1/s1
InChIKeyXFRHZOVKQWMYTK-CQSZACIVSA-N
XLogP2.34
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine?
The IUPAC name of 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine (CID 164640825) is 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine is Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine?
The InChIKey is XFRHZOVKQWMYTK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12-9-16(17(19)20-10-12)25(22,23)21-8-2-3-14(21)11-24-15-6-4-13(18)5-7-15/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,19,20)/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine?
3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine has a molecular weight of 365.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine is sourced from PubChem (CID 164640825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).