(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide

C15H24FNO2S — CID 135000448

IUPAC(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](O)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-10(2)14(18)13(17-20(19)15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13-14,17-18H,1-5H3/t13-,14+,20+/m0/s1
InChIKeyZCGRHVSFTPIFSU-LRDNONRASA-N
MW301.43 g/mol
LogP2.94
Rot. Bonds5

About (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 135000448) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID135000448
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](O)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-10(2)14(18)13(17-20(19)15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13-14,17-18H,1-5H3/t13-,14+,20+/m0/s1
InChIKeyZCGRHVSFTPIFSU-LRDNONRASA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269
1-Amino-1-phenylpropan-2-ol hydrochloride
CID 19826203
2-Amino-2-(3-fluorophenyl)ethan-1-ol hydrochloride
CID 54593657
(S)-2-Amino-2-(4-fluorophenyl)ethanol hydrochloride
CID 67033232
(S)-2-Amino-2-(2-fluorophenyl)ethanol hydrochloride
CID 67033930
1-Amino-1-(2-fluorophenyl)propan-2-ol
CID 76224820
(R)-2-Amino-2-(2-fluorophenyl)ethanol hydrochloride
CID 122173420
beta-Amino-alpha-methylphenethyl alcohol, erythro-
CID 12352923
(S)-2-Amino-2-(4-fluorophenyl)ethanol
CID 51669578
(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
CID 71663326
2-Amino-2-(3-fluorophenyl)ethanol
CID 45090613

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 135000448) is (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)[C@@H](O)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZCGRHVSFTPIFSU-LRDNONRASA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-10(2)14(18)13(17-20(19)15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13-14,17-18H,1-5H3/t13-,14+,20+/m0/s1.
What are the key properties of (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 301.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135000448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).