tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium

C10H20F3NOS — CID 174013312

IUPACtert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium
SMILESCC[C@H](CCC(F)(F)F)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3/t8-,16?/m1/s1
InChIKeySNYRQNXQIWOLDP-YRFRWJCTSA-N
MW259.34 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium

tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium (PubChem CID 174013312) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium
PubChem CID174013312
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Nametert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium
SMILESCC[C@H](CCC(F)(F)F)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3/t8-,16?/m1/s1
InChIKeySNYRQNXQIWOLDP-YRFRWJCTSA-N
XLogP3.16
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium?
The IUPAC name of tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium (CID 174013312) is tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium.
What is the SMILES notation for tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium?
The canonical SMILES for tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium is CC[C@H](CCC(F)(F)F)N[S+]([O-])C(C)(C)C.
What is the InChIKey of tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium?
The InChIKey is SNYRQNXQIWOLDP-YRFRWJCTSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3/t8-,16?/m1/s1.
What are the key properties of tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium?
tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium has a molecular weight of 259.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium is sourced from PubChem (CID 174013312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).