tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium

C10H21NOS — CID 175613006

IUPACtert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium
SMILESC=CC(CCC)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-6-8-9(7-2)11-13(12)10(3,4)5/h7,9,11H,2,6,8H2,1,3-5H3
InChIKeyUYRPOQFKAZPKTO-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds5

About tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium

tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium (PubChem CID 175613006) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium
PubChem CID175613006
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Nametert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium
SMILESC=CC(CCC)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-6-8-9(7-2)11-13(12)10(3,4)5/h7,9,11H,2,6,8H2,1,3-5H3
InChIKeyUYRPOQFKAZPKTO-UHFFFAOYSA-N
XLogP2.39
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium?
The IUPAC name of tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium (CID 175613006) is tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium.
What is the SMILES notation for tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium?
The canonical SMILES for tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium is C=CC(CCC)N[S+]([O-])C(C)(C)C.
What is the InChIKey of tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium?
The InChIKey is UYRPOQFKAZPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-6-8-9(7-2)11-13(12)10(3,4)5/h7,9,11H,2,6,8H2,1,3-5H3.
What are the key properties of tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium?
tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium has a molecular weight of 203.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium is sourced from PubChem (CID 175613006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).