(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)

C11H11N2O3RbS — CID 173480777

IUPAC(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)
SMILESCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21.[Rb+]
InChIInChI=1S/C11H12N2O3S.Rb/c1-17(15,16)12-11(14)8-13-7-6-9-4-2-3-5-10(9)13;/h2-7H,8H2,1H3,(H,12,14);/q;+1/p-1
InChIKeyPNTVVWWVQFURNR-UHFFFAOYSA-M
MW336.76 g/mol
LogP-1.49
Rot. Bonds3

About (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)

(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+) (PubChem CID 173480777) has the molecular formula C11H11N2O3RbS and a molecular weight of 336.76 g/mol. Its IUPAC name is (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+).

Molecular Properties

Compound Name(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)
PubChem CID173480777
Molecular FormulaC11H11N2O3RbS
Molecular Weight336.76 g/mol
Exact Mass335.96
IUPAC Name(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)
SMILESCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21.[Rb+]
InChIInChI=1S/C11H12N2O3S.Rb/c1-17(15,16)12-11(14)8-13-7-6-9-4-2-3-5-10(9)13;/h2-7H,8H2,1H3,(H,12,14);/q;+1/p-1
InChIKeyPNTVVWWVQFURNR-UHFFFAOYSA-M
XLogP-1.49
TPSA70.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)?
The IUPAC name of (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+) (CID 173480777) is (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+).
What is the SMILES notation for (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)?
The canonical SMILES for (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+) is CS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21.[Rb+].
What is the InChIKey of (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)?
The InChIKey is PNTVVWWVQFURNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O3S.Rb/c1-17(15,16)12-11(14)8-13-7-6-9-4-2-3-5-10(9)13;/h2-7H,8H2,1H3,(H,12,14);/q;+1/p-1.
What are the key properties of (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)?
(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+) has a molecular weight of 336.76 g/mol, XLogP of -1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+) is sourced from PubChem (CID 173480777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).