tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium

C10H20F3NOS — CID 134969143

IUPACtert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium
SMILESCC(C)(C)[C@@H](N[S+]([O-])C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-8(2,3)7(10(11,12)13)14-16(15)9(4,5)6/h7,14H,1-6H3/t7-,16?/m1/s1
InChIKeyHTPPSTBGTZPJSU-MSSWUJIJSA-N
MW259.34 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium

tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium (PubChem CID 134969143) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium
PubChem CID134969143
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Nametert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium
SMILESCC(C)(C)[C@@H](N[S+]([O-])C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-8(2,3)7(10(11,12)13)14-16(15)9(4,5)6/h7,14H,1-6H3/t7-,16?/m1/s1
InChIKeyHTPPSTBGTZPJSU-MSSWUJIJSA-N
XLogP3.02
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium with MolForge

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Related Compounds

(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 11345967
2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 134920582
N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 134964932
2-Methyl-propane-2-sulfinic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 86659432
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616
(R)-2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
CID 87159671
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 87159674
(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
CID 123749641
2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
CID 134348721
(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
CID 134360039
2-methyl-N-(4,4,4-trifluorobutan-2-yl)propane-2-sulfinamide
CID 138544228

Frequently Asked Questions

What is the IUPAC name of tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium?
The IUPAC name of tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium (CID 134969143) is tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium.
What is the SMILES notation for tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium?
The canonical SMILES for tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium is CC(C)(C)[C@@H](N[S+]([O-])C(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium?
The InChIKey is HTPPSTBGTZPJSU-MSSWUJIJSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-8(2,3)7(10(11,12)13)14-16(15)9(4,5)6/h7,14H,1-6H3/t7-,16?/m1/s1.
What are the key properties of tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium?
tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium has a molecular weight of 259.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium is sourced from PubChem (CID 134969143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).