potassium (prop-2-enoylamino)methanesulfonate

C4H6KNO4S — CID 87554241

IUPACpotassium (prop-2-enoylamino)methanesulfonate
SMILESC=CC(=O)NCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4S.K/c1-2-4(6)5-3-10(7,8)9;/h2H,1,3H2,(H,5,6)(H,7,8,9);/q;+1/p-1
InChIKeyWOYRGUBKVPTRSJ-UHFFFAOYSA-M
MW203.26 g/mol
LogP-4.20
Rot. Bonds3

About potassium (prop-2-enoylamino)methanesulfonate

potassium (prop-2-enoylamino)methanesulfonate (PubChem CID 87554241) has the molecular formula C4H6KNO4S and a molecular weight of 203.26 g/mol. Its IUPAC name is potassium (prop-2-enoylamino)methanesulfonate.

Molecular Properties

Compound Namepotassium (prop-2-enoylamino)methanesulfonate
PubChem CID87554241
Molecular FormulaC4H6KNO4S
Molecular Weight203.26 g/mol
Exact Mass202.97
IUPAC Namepotassium (prop-2-enoylamino)methanesulfonate
SMILESC=CC(=O)NCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H7NO4S.K/c1-2-4(6)5-3-10(7,8)9;/h2H,1,3H2,(H,5,6)(H,7,8,9);/q;+1/p-1
InChIKeyWOYRGUBKVPTRSJ-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 ≤ 500203.26
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 potassium (prop-2-enoylamino)methanesulfonate?
The IUPAC name of potassium (prop-2-enoylamino)methanesulfonate (CID 87554241) is potassium (prop-2-enoylamino)methanesulfonate.
What is the SMILES notation for potassium (prop-2-enoylamino)methanesulfonate?
The canonical SMILES for potassium (prop-2-enoylamino)methanesulfonate is C=CC(=O)NCS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium (prop-2-enoylamino)methanesulfonate?
The InChIKey is WOYRGUBKVPTRSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4S.K/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 potassium (prop-2-enoylamino)methanesulfonate?
potassium (prop-2-enoylamino)methanesulfonate has a molecular weight of 203.26 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 potassium (prop-2-enoylamino)methanesulfonate is sourced from PubChem (CID 87554241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).