(R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide

C11H16FNO2S — CID 15942279

IUPAC(R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NCc1cc(F)ccc1O
InChIInChI=1S/C11H16FNO2S/c1-11(2,3)16(15)13-7-8-6-9(12)4-5-10(8)14/h4-6,13-14H,7H2,1-3H3/t16-/m1/s1
InChIKeyXTPZGUHLVPWRRJ-MRXNPFEDSA-N
MW245.32 g/mol
LogP2.08
Rot. Bonds3

About (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide

(R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 15942279) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID15942279
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name(R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NCc1cc(F)ccc1O
InChIInChI=1S/C11H16FNO2S/c1-11(2,3)16(15)13-7-8-6-9(12)4-5-10(8)14/h4-6,13-14H,7H2,1-3H3/t16-/m1/s1
InChIKeyXTPZGUHLVPWRRJ-MRXNPFEDSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide (CID 15942279) is (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)NCc1cc(F)ccc1O.
What is the InChIKey of (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XTPZGUHLVPWRRJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-11(2,3)16(15)13-7-8-6-9(12)4-5-10(8)14/h4-6,13-14H,7H2,1-3H3/t16-/m1/s1.
What are the key properties of (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 245.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(5-fluoro-2-hydroxyphenyl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 15942279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).