2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium

C7H17MtNO8S3 — CID 58814079

IUPAC2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium
SMILESCS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)O.[Mt]
InChIInChI=1S/C7H17NO8S3.Mt/c1-17(10,11)3-2-4-18(12,13)8-5-7(9)6-19(14,15)16;/h7-9H,2-6H2,1H3,(H,14,15,16);
InChIKeyPHHFEOCZHIDSCW-UHFFFAOYSA-N
MW617.41 g/mol
LogP-2.41
Rot. Bonds9

About 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium

2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium (PubChem CID 58814079) has the molecular formula C7H17MtNO8S3 and a molecular weight of 617.41 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium.

Molecular Properties

Compound Name2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium
PubChem CID58814079
Molecular FormulaC7H17MtNO8S3
Molecular Weight617.41 g/mol
Exact Mass617.17
IUPAC Name2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium
SMILESCS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)O.[Mt]
InChIInChI=1S/C7H17NO8S3.Mt/c1-17(10,11)3-2-4-18(12,13)8-5-7(9)6-19(14,15)16;/h7-9H,2-6H2,1H3,(H,14,15,16);
InChIKeyPHHFEOCZHIDSCW-UHFFFAOYSA-N
XLogP-2.41
TPSA154.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.41
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium?
The IUPAC name of 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium (CID 58814079) is 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium.
What is the SMILES notation for 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium?
The canonical SMILES for 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium is CS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)O.[Mt].
What is the InChIKey of 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium?
The InChIKey is PHHFEOCZHIDSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO8S3.Mt/c1-17(10,11)3-2-4-18(12,13)8-5-7(9)6-19(14,15)16;/h7-9H,2-6H2,1H3,(H,14,15,16);.
What are the key properties of 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium?
2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium has a molecular weight of 617.41 g/mol, XLogP of -2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid;meitnerium is sourced from PubChem (CID 58814079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).