sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride

C4H10Cl2NNaO3S — CID 173043495

IUPACsodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
SMILESCC(C)(CS(=O)(=O)O)N(Cl)Cl.[H-].[Na+]
InChIInChI=1S/C4H9Cl2NO3S.Na.H/c1-4(2,7(5)6)3-11(8,9)10;;/h3H2,1-2H3,(H,8,9,10);;/q;+1;-1
InChIKeyQCDKOQCYSGKROB-UHFFFAOYSA-N
MW246.09 g/mol
LogP-1.62
Rot. Bonds3

About sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride

sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride (PubChem CID 173043495) has the molecular formula C4H10Cl2NNaO3S and a molecular weight of 246.09 g/mol. Its IUPAC name is sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
PubChem CID173043495
Molecular FormulaC4H10Cl2NNaO3S
Molecular Weight246.09 g/mol
Exact Mass244.97
IUPAC Namesodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
SMILESCC(C)(CS(=O)(=O)O)N(Cl)Cl.[H-].[Na+]
InChIInChI=1S/C4H9Cl2NO3S.Na.H/c1-4(2,7(5)6)3-11(8,9)10;;/h3H2,1-2H3,(H,8,9,10);;/q;+1;-1
InChIKeyQCDKOQCYSGKROB-UHFFFAOYSA-N
XLogP-1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dichloroamino)-2-methylpropane-1-sulfonic acid
CID 11708365
2-(dichloroamino)-2-methylpropane-1-sulfonic acid;2-(dichloroamino)propane-1-sulfonic acid
CID 87370884
2-[bromo(chloro)amino]-2-methylpropane-1-sulfonic acid
CID 44814599
2-(diiodoamino)-2-methylpropane-1-sulfonic acid
CID 138539533
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2-methoxy-2-methylpropane-1-sulfonic acid
CID 22636946
2-[[3-(dichloroamino)-3-methylbutanoyl]-methylamino]ethanesulfonic acid
CID 45268019
8-[3-(dichloroamino)-3-methylbutyl]sulfonyloctane-1-sulfonic acid
CID 54584529
3-[chloro(methyl)amino]-3-methylbutane-1-sulfonic acid
CID 25054883
2-[2-(dichloroamino)-2-methylpropyl]sulfonylethyl-trimethylazanium chloride
CID 46199918
sodium;hydride;2-methyl-2-(pentylamino)propane-1-sulfonic acid
CID 173281045

Frequently Asked Questions

What is the IUPAC name of sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride?
The IUPAC name of sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride (CID 173043495) is sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride?
The canonical SMILES for sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride is CC(C)(CS(=O)(=O)O)N(Cl)Cl.[H-].[Na+].
What is the InChIKey of sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride?
The InChIKey is QCDKOQCYSGKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2NO3S.Na.H/c1-4(2,7(5)6)3-11(8,9)10;;/h3H2,1-2H3,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride?
sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride has a molecular weight of 246.09 g/mol, XLogP of -1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride is sourced from PubChem (CID 173043495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).