tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium

C10H14F3NOS2 — CID 173465503

IUPACtert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium
SMILESCC(C)(C)[S+]([O-])N[C@@H](c1ccsc1)C(F)(F)F
InChIInChI=1S/C10H14F3NOS2/c1-9(2,3)17(15)14-8(10(11,12)13)7-4-5-16-6-7/h4-6,8,14H,1-3H3/t8-,17?/m0/s1
InChIKeyHGVWMIBKCXNLQG-CLBCNEFWSA-N
MW285.36 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium

tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium (PubChem CID 173465503) has the molecular formula C10H14F3NOS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium
PubChem CID173465503
Molecular FormulaC10H14F3NOS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Nametert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium
SMILESCC(C)(C)[S+]([O-])N[C@@H](c1ccsc1)C(F)(F)F
InChIInChI=1S/C10H14F3NOS2/c1-9(2,3)17(15)14-8(10(11,12)13)7-4-5-16-6-7/h4-6,8,14H,1-3H3/t8-,17?/m0/s1
InChIKeyHGVWMIBKCXNLQG-CLBCNEFWSA-N
XLogP3.40
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiophen-3-yl)ethan-1-amine
CID 14249915
(1R)-1-(thiophen-3-yl)ethan-1-amine hydrochloride
CID 154575277
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]propane-2-sulfinamide
CID 58570325
(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 88872336
(R)-2-methyl-N-[(1R)-1-thiophen-3-ylethyl]propane-2-sulfinamide
CID 162412188
N-(2,2,2-trifluoro-1-thiophen-3-ylethyl)hydroxylamine
CID 15110170
2,2,2-Trifluoro-1-(thiophen-3-yl)ethanamine
CID 46785673
(1R)-1-[2-(trifluoromethyl)thiophen-3-yl]ethanamine
CID 55274787
(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 55276952
(R)-2,2,2-Trifluoro-1-(thiophen-3-yl)ethan-1-amine
CID 55277068
3,3,3-Trifluoro-1-(thiophen-3-yl)propan-1-amine
CID 55296222
1-[2-(Trifluoromethyl)thiophen-3-yl]ethanamine
CID 55296224

Frequently Asked Questions

What is the IUPAC name of tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium?
The IUPAC name of tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium (CID 173465503) is tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium.
What is the SMILES notation for tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium?
The canonical SMILES for tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium is CC(C)(C)[S+]([O-])N[C@@H](c1ccsc1)C(F)(F)F.
What is the InChIKey of tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium?
The InChIKey is HGVWMIBKCXNLQG-CLBCNEFWSA-N. The full InChI is InChI=1S/C10H14F3NOS2/c1-9(2,3)17(15)14-8(10(11,12)13)7-4-5-16-6-7/h4-6,8,14H,1-3H3/t8-,17?/m0/s1.
What are the key properties of tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium?
tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium has a molecular weight of 285.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium is sourced from PubChem (CID 173465503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).