sodium;N,N-diethylethanamine;hydride;sulfuric acid

C6H18NNaO4S — CID 175161675

IUPACsodium;N,N-diethylethanamine;hydride;sulfuric acid
SMILESCCN(CC)CC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H15N.Na.H2O4S.H/c1-4-7(5-2)6-3;;1-5(2,3)4;/h4-6H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyLWIKXEGUKKHGQS-UHFFFAOYSA-N
MW223.27 g/mol
LogP-2.19
Rot. Bonds3

About sodium;N,N-diethylethanamine;hydride;sulfuric acid

sodium;N,N-diethylethanamine;hydride;sulfuric acid (PubChem CID 175161675) has the molecular formula C6H18NNaO4S and a molecular weight of 223.27 g/mol. Its IUPAC name is sodium;N,N-diethylethanamine;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;N,N-diethylethanamine;hydride;sulfuric acid
PubChem CID175161675
Molecular FormulaC6H18NNaO4S
Molecular Weight223.27 g/mol
Exact Mass223.09
IUPAC Namesodium;N,N-diethylethanamine;hydride;sulfuric acid
SMILESCCN(CC)CC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H15N.Na.H2O4S.H/c1-4-7(5-2)6-3;;1-5(2,3)4;/h4-6H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyLWIKXEGUKKHGQS-UHFFFAOYSA-N
XLogP-2.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-2.19
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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Related Compounds

tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
lithium;N,N-diethylethanamine;hydride
CID 161206277
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
sodium;ethanethiol;hydride;sulfuric acid
CID 173063169
1-(diethylamino)propan-2-one;sulfuric acid
CID 87420843
N,N-diethylethanamine;ethane
CID 22114990
disodium;hydride;sulfuric acid
CID 173215682
disodium;hydride;sulfuric acid
CID 173031766
ethane;sulfuric acid
CID 174865721
N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid
CID 175940387

Frequently Asked Questions

What is the IUPAC name of sodium;N,N-diethylethanamine;hydride;sulfuric acid?
The IUPAC name of sodium;N,N-diethylethanamine;hydride;sulfuric acid (CID 175161675) is sodium;N,N-diethylethanamine;hydride;sulfuric acid.
What is the SMILES notation for sodium;N,N-diethylethanamine;hydride;sulfuric acid?
The canonical SMILES for sodium;N,N-diethylethanamine;hydride;sulfuric acid is CCN(CC)CC.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;N,N-diethylethanamine;hydride;sulfuric acid?
The InChIKey is LWIKXEGUKKHGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.Na.H2O4S.H/c1-4-7(5-2)6-3;;1-5(2,3)4;/h4-6H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;N,N-diethylethanamine;hydride;sulfuric acid?
sodium;N,N-diethylethanamine;hydride;sulfuric acid has a molecular weight of 223.27 g/mol, XLogP of -2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-diethylethanamine;hydride;sulfuric acid is sourced from PubChem (CID 175161675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).