N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide

C15H24F3NO2SSi — CID 10570998

IUPACN-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide
SMILESCC(C)[C@H](CO[Si](C)(C)C)NS(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H24F3NO2SSi/c1-11(2)14(10-21-23(3,4)5)19-22(20)13-8-6-12(7-9-13)15(16,17)18/h6-9,11,14,19H,10H2,1-5H3/t14-,22?/m0/s1
InChIKeyBSKKBPOFWMBMDE-XLEXHMCLSA-N
MW367.51 g/mol
LogP4.19
Rot. Bonds7

About N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide

N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide (PubChem CID 10570998) has the molecular formula C15H24F3NO2SSi and a molecular weight of 367.51 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide
PubChem CID10570998
Molecular FormulaC15H24F3NO2SSi
Molecular Weight367.51 g/mol
Exact Mass367.12
IUPAC NameN-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide
SMILESCC(C)[C@H](CO[Si](C)(C)C)NS(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H24F3NO2SSi/c1-11(2)14(10-21-23(3,4)5)19-22(20)13-8-6-12(7-9-13)15(16,17)18/h6-9,11,14,19H,10H2,1-5H3/t14-,22?/m0/s1
InChIKeyBSKKBPOFWMBMDE-XLEXHMCLSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 25263446
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 3396713
(2R,4R)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1-oxa-2lambda6-thia-3-azacyclopent-2-ene 2-oxide
CID 25045095
4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765464
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 24765545
4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765546
4-propyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765549
4-methyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765550
N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 24765646
4-methyl-N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 57724044

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide (CID 10570998) is N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide is CC(C)[C@H](CO[Si](C)(C)C)NS(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide?
The InChIKey is BSKKBPOFWMBMDE-XLEXHMCLSA-N. The full InChI is InChI=1S/C15H24F3NO2SSi/c1-11(2)14(10-21-23(3,4)5)19-22(20)13-8-6-12(7-9-13)15(16,17)18/h6-9,11,14,19H,10H2,1-5H3/t14-,22?/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide?
N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide has a molecular weight of 367.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 10570998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).