(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)

C7H14NO2RbS — CID 58311475

IUPAC(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)
SMILESC[N-]C(CCSC)C(=O)OC.[Rb+]
InChIInChI=1S/C7H14NO2S.Rb/c1-8-6(4-5-11-3)7(9)10-2;/h6H,4-5H2,1-3H3;/q-1;+1
InChIKeyOLSVSTQFTJXGGG-UHFFFAOYSA-N
MW261.73 g/mol
LogP-1.71
Rot. Bonds5

About (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)

(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+) (PubChem CID 58311475) has the molecular formula C7H14NO2RbS and a molecular weight of 261.73 g/mol. Its IUPAC name is (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+).

Molecular Properties

Compound Name(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)
PubChem CID58311475
Molecular FormulaC7H14NO2RbS
Molecular Weight261.73 g/mol
Exact Mass260.99
IUPAC Name(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)
SMILESC[N-]C(CCSC)C(=O)OC.[Rb+]
InChIInChI=1S/C7H14NO2S.Rb/c1-8-6(4-5-11-3)7(9)10-2;/h6H,4-5H2,1-3H3;/q-1;+1
InChIKeyOLSVSTQFTJXGGG-UHFFFAOYSA-N
XLogP-1.71
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)?
The IUPAC name of (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+) (CID 58311475) is (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+).
What is the SMILES notation for (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)?
The canonical SMILES for (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+) is C[N-]C(CCSC)C(=O)OC.[Rb+].
What is the InChIKey of (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)?
The InChIKey is OLSVSTQFTJXGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2S.Rb/c1-8-6(4-5-11-3)7(9)10-2;/h6H,4-5H2,1-3H3;/q-1;+1.
What are the key properties of (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)?
(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+) has a molecular weight of 261.73 g/mol, XLogP of -1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+) is sourced from PubChem (CID 58311475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).