(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide

C13H20FNOS — CID 169081085

IUPAC(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(F)c([C@H](C)N[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C13H20FNOS/c1-9-6-7-12(14)11(8-9)10(2)15-17(16)13(3,4)5/h6-8,10,15H,1-5H3/t10-,17+/m0/s1
InChIKeyOZRJEFMTPIZIAK-DYZYQPBXSA-N
MW257.37 g/mol
LogP3.25
Rot. Bonds3

About (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169081085) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169081085
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(F)c([C@H](C)N[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C13H20FNOS/c1-9-6-7-12(14)11(8-9)10(2)15-17(16)13(3,4)5/h6-8,10,15H,1-5H3/t10-,17+/m0/s1
InChIKeyOZRJEFMTPIZIAK-DYZYQPBXSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 169081085) is (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide is Cc1ccc(F)c([C@H](C)N[S@](=O)C(C)(C)C)c1.
What is the InChIKey of (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OZRJEFMTPIZIAK-DYZYQPBXSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-9-6-7-12(14)11(8-9)10(2)15-17(16)13(3,4)5/h6-8,10,15H,1-5H3/t10-,17+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 257.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169081085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).