3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium

C5H11MtNO5S — CID 58814107

IUPAC3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium
SMILESCC(=O)NCC(O)CS(=O)(=O)O.[Mt]
InChIInChI=1S/C5H11NO5S.Mt/c1-4(7)6-2-5(8)3-12(9,10)11;/h5,8H,2-3H2,1H3,(H,6,7)(H,9,10,11);
InChIKeyAGGZHSFSGDTWTQ-UHFFFAOYSA-N
MW475.21 g/mol
LogP-1.63
Rot. Bonds4

About 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium

3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium (PubChem CID 58814107) has the molecular formula C5H11MtNO5S and a molecular weight of 475.21 g/mol. Its IUPAC name is 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium.

Molecular Properties

Compound Name3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium
PubChem CID58814107
Molecular FormulaC5H11MtNO5S
Molecular Weight475.21 g/mol
Exact Mass475.19
IUPAC Name3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium
SMILESCC(=O)NCC(O)CS(=O)(=O)O.[Mt]
InChIInChI=1S/C5H11NO5S.Mt/c1-4(7)6-2-5(8)3-12(9,10)11;/h5,8H,2-3H2,1H3,(H,6,7)(H,9,10,11);
InChIKeyAGGZHSFSGDTWTQ-UHFFFAOYSA-N
XLogP-1.63
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium?
The IUPAC name of 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium (CID 58814107) is 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium.
What is the SMILES notation for 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium?
The canonical SMILES for 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium is CC(=O)NCC(O)CS(=O)(=O)O.[Mt].
What is the InChIKey of 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium?
The InChIKey is AGGZHSFSGDTWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S.Mt/c1-4(7)6-2-5(8)3-12(9,10)11;/h5,8H,2-3H2,1H3,(H,6,7)(H,9,10,11);.
What are the key properties of 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium?
3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium has a molecular weight of 475.21 g/mol, XLogP of -1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium is sourced from PubChem (CID 58814107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).