N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

C18H23FN2O2S — CID 67290689

IUPACN-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C18H23FN2O2S/c1-13(21-24(22)18(2,3)4)17-10-9-15(11-20-17)23-12-14-7-5-6-8-16(14)19/h5-11,13,21H,12H2,1-4H3/t13-,24?/m1/s1
InChIKeySBYAPIMTXPJQLF-SGZRZGDHSA-N
MW350.46 g/mol
LogP3.91
Rot. Bonds6

About N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 67290689) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID67290689
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC NameN-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C18H23FN2O2S/c1-13(21-24(22)18(2,3)4)17-10-9-15(11-20-17)23-12-14-7-5-6-8-16(14)19/h5-11,13,21H,12H2,1-4H3/t13-,24?/m1/s1
InChIKeySBYAPIMTXPJQLF-SGZRZGDHSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 67290689) is N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1ccc(OCc2ccccc2F)cn1.
What is the InChIKey of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SBYAPIMTXPJQLF-SGZRZGDHSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-13(21-24(22)18(2,3)4)17-10-9-15(11-20-17)23-12-14-7-5-6-8-16(14)19/h5-11,13,21H,12H2,1-4H3/t13-,24?/m1/s1.
What are the key properties of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 350.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67290689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).