(prop-2-enoylamino)methanesulfonate;rubidium(1+)

C4H6NO4RbS — CID 141499476

IUPAC(prop-2-enoylamino)methanesulfonate;rubidium(1+)
SMILESC=CC(=O)NCS(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C4H7NO4S.Rb/c1-2-4(6)5-3-10(7,8)9;/h2H,1,3H2,(H,5,6)(H,7,8,9);/q;+1/p-1
InChIKeyAKCKZUJGTBSAIO-UHFFFAOYSA-M
MW249.63 g/mol
LogP-4.20
Rot. Bonds3

About (prop-2-enoylamino)methanesulfonate;rubidium(1+)

(prop-2-enoylamino)methanesulfonate;rubidium(1+) (PubChem CID 141499476) has the molecular formula C4H6NO4RbS and a molecular weight of 249.63 g/mol. Its IUPAC name is (prop-2-enoylamino)methanesulfonate;rubidium(1+).

Molecular Properties

Compound Name(prop-2-enoylamino)methanesulfonate;rubidium(1+)
PubChem CID141499476
Molecular FormulaC4H6NO4RbS
Molecular Weight249.63 g/mol
Exact Mass248.91
IUPAC Name(prop-2-enoylamino)methanesulfonate;rubidium(1+)
SMILESC=CC(=O)NCS(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C4H7NO4S.Rb/c1-2-4(6)5-3-10(7,8)9;/h2H,1,3H2,(H,5,6)(H,7,8,9);/q;+1/p-1
InChIKeyAKCKZUJGTBSAIO-UHFFFAOYSA-M
XLogP-4.20
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.63
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (prop-2-enoylamino)methanesulfonate;rubidium(1+)?
The IUPAC name of (prop-2-enoylamino)methanesulfonate;rubidium(1+) (CID 141499476) is (prop-2-enoylamino)methanesulfonate;rubidium(1+).
What is the SMILES notation for (prop-2-enoylamino)methanesulfonate;rubidium(1+)?
The canonical SMILES for (prop-2-enoylamino)methanesulfonate;rubidium(1+) is C=CC(=O)NCS(=O)(=O)[O-].[Rb+].
What is the InChIKey of (prop-2-enoylamino)methanesulfonate;rubidium(1+)?
The InChIKey is AKCKZUJGTBSAIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4S.Rb/c1-2-4(6)5-3-10(7,8)9;/h2H,1,3H2,(H,5,6)(H,7,8,9);/q;+1/p-1.
What are the key properties of (prop-2-enoylamino)methanesulfonate;rubidium(1+)?
(prop-2-enoylamino)methanesulfonate;rubidium(1+) has a molecular weight of 249.63 g/mol, XLogP of -4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-2-enoylamino)methanesulfonate;rubidium(1+) is sourced from PubChem (CID 141499476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).