sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride

C5H6ClN2NaO5S — CID 173409194

IUPACsodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride
SMILESO=C1NC(=O)C(S(=O)(=O)CCl)C(=O)N1.[H-].[Na+]
InChIInChI=1S/C5H5ClN2O5S.Na.H/c6-1-14(12,13)2-3(9)7-5(11)8-4(2)10;;/h2H,1H2,(H2,7,8,9,10,11);;/q;+1;-1
InChIKeyAWPJBYFDYOSQEP-UHFFFAOYSA-N
MW264.62 g/mol
LogP-4.55
Rot. Bonds2

About sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride

sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride (PubChem CID 173409194) has the molecular formula C5H6ClN2NaO5S and a molecular weight of 264.62 g/mol. Its IUPAC name is sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride.

Molecular Properties

Compound Namesodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride
PubChem CID173409194
Molecular FormulaC5H6ClN2NaO5S
Molecular Weight264.62 g/mol
Exact Mass263.96
IUPAC Namesodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride
SMILESO=C1NC(=O)C(S(=O)(=O)CCl)C(=O)N1.[H-].[Na+]
InChIInChI=1S/C5H5ClN2O5S.Na.H/c6-1-14(12,13)2-3(9)7-5(11)8-4(2)10;;/h2H,1H2,(H2,7,8,9,10,11);;/q;+1;-1
InChIKeyAWPJBYFDYOSQEP-UHFFFAOYSA-N
XLogP-4.55
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.62
LogP ≤ 5-4.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride?
The IUPAC name of sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride (CID 173409194) is sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride.
What is the SMILES notation for sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride?
The canonical SMILES for sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride is O=C1NC(=O)C(S(=O)(=O)CCl)C(=O)N1.[H-].[Na+].
What is the InChIKey of sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride?
The InChIKey is AWPJBYFDYOSQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O5S.Na.H/c6-1-14(12,13)2-3(9)7-5(11)8-4(2)10;;/h2H,1H2,(H2,7,8,9,10,11);;/q;+1;-1.
What are the key properties of sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride?
sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride has a molecular weight of 264.62 g/mol, XLogP of -4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(chloromethylsulfonyl)-1,3-diazinane-2,4,6-trione;hydride is sourced from PubChem (CID 173409194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).