tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium

C16H23NOS — CID 175444003

IUPACtert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium
SMILESCC(=N[S+]([O-])C(C)(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NOS/c1-12(17-19(18)16(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h9-11H,5-8H2,1-4H3
InChIKeyVQHNYYHYHHDUIJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium

tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium (PubChem CID 175444003) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium
PubChem CID175444003
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Nametert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium
SMILESCC(=N[S+]([O-])C(C)(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NOS/c1-12(17-19(18)16(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h9-11H,5-8H2,1-4H3
InChIKeyVQHNYYHYHHDUIJ-UHFFFAOYSA-N
XLogP3.84
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium?
The IUPAC name of tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium (CID 175444003) is tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium.
What is the SMILES notation for tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium?
The canonical SMILES for tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium is CC(=N[S+]([O-])C(C)(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium?
The InChIKey is VQHNYYHYHHDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12(17-19(18)16(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h9-11H,5-8H2,1-4H3.
What are the key properties of tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium?
tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium has a molecular weight of 277.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium is sourced from PubChem (CID 175444003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).