2-acetamidoethanesulfonic acid;meitnerium

C4H9MtNO4S — CID 58814078

IUPAC2-acetamidoethanesulfonic acid;meitnerium
SMILESCC(=O)NCCS(=O)(=O)O.[Mt]
InChIInChI=1S/C4H9NO4S.Mt/c1-4(6)5-2-3-10(7,8)9;/h2-3H2,1H3,(H,5,6)(H,7,8,9);
InChIKeyVMBHHGVRKLCPLS-UHFFFAOYSA-N
MW445.19 g/mol
LogP-0.99
Rot. Bonds3

About 2-acetamidoethanesulfonic acid;meitnerium

2-acetamidoethanesulfonic acid;meitnerium (PubChem CID 58814078) has the molecular formula C4H9MtNO4S and a molecular weight of 445.19 g/mol. Its IUPAC name is 2-acetamidoethanesulfonic acid;meitnerium.

Molecular Properties

Compound Name2-acetamidoethanesulfonic acid;meitnerium
PubChem CID58814078
Molecular FormulaC4H9MtNO4S
Molecular Weight445.19 g/mol
Exact Mass445.18
IUPAC Name2-acetamidoethanesulfonic acid;meitnerium
SMILESCC(=O)NCCS(=O)(=O)O.[Mt]
InChIInChI=1S/C4H9NO4S.Mt/c1-4(6)5-2-3-10(7,8)9;/h2-3H2,1H3,(H,5,6)(H,7,8,9);
InChIKeyVMBHHGVRKLCPLS-UHFFFAOYSA-N
XLogP-0.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethanesulfonic acid;meitnerium?
The IUPAC name of 2-acetamidoethanesulfonic acid;meitnerium (CID 58814078) is 2-acetamidoethanesulfonic acid;meitnerium.
What is the SMILES notation for 2-acetamidoethanesulfonic acid;meitnerium?
The canonical SMILES for 2-acetamidoethanesulfonic acid;meitnerium is CC(=O)NCCS(=O)(=O)O.[Mt].
What is the InChIKey of 2-acetamidoethanesulfonic acid;meitnerium?
The InChIKey is VMBHHGVRKLCPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.Mt/c1-4(6)5-2-3-10(7,8)9;/h2-3H2,1H3,(H,5,6)(H,7,8,9);.
What are the key properties of 2-acetamidoethanesulfonic acid;meitnerium?
2-acetamidoethanesulfonic acid;meitnerium has a molecular weight of 445.19 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethanesulfonic acid;meitnerium is sourced from PubChem (CID 58814078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).