sodium 2-(dimethylamino)ethanesulfonate

C4H10NNaO3S — CID 23516383

IUPACsodium 2-(dimethylamino)ethanesulfonate
SMILESCN(C)CCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO3S.Na/c1-5(2)3-4-9(6,7)8;/h3-4H2,1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyUCEFJLCCEBLUPH-UHFFFAOYSA-M
MW175.18 g/mol
LogP-3.90
Rot. Bonds3

About sodium 2-(dimethylamino)ethanesulfonate

sodium 2-(dimethylamino)ethanesulfonate (PubChem CID 23516383) has the molecular formula C4H10NNaO3S and a molecular weight of 175.18 g/mol. Its IUPAC name is sodium 2-(dimethylamino)ethanesulfonate.

Molecular Properties

Compound Namesodium 2-(dimethylamino)ethanesulfonate
PubChem CID23516383
Molecular FormulaC4H10NNaO3S
Molecular Weight175.18 g/mol
Exact Mass175.03
IUPAC Namesodium 2-(dimethylamino)ethanesulfonate
SMILESCN(C)CCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO3S.Na/c1-5(2)3-4-9(6,7)8;/h3-4H2,1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyUCEFJLCCEBLUPH-UHFFFAOYSA-M
XLogP-3.90
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-3.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-(dimethylamino)propane-1-sulfonate
CID 23703542
sodium 2-[methyl(octadecyl)amino]ethanesulfonate
CID 87283536
2-[carbonofluoridoyl(methyl)amino]ethanesulfonate
CID 140799657
dilithium;ethane-1,2-disulfonate
CID 87246309
disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
CID 172681382
2-[hydroxy(propan-2-yl)amino]ethanesulfonate
CID 58636265
2-(dimethylamino)ethanesulfonyl chloride;hydrochloride
CID 14219658
tetrasodium bis(2-(2-sulfonatoethyldisulfanyl)ethanesulfonate)
CID 140515309
ethane-1,2-disulfonate;silver
CID 87079782
strontium ethane-1,2-disulfonate
CID 87366284
sodium 2-[docosanoyl(methyl)amino]ethanesulfonate
CID 101283183
sodium 2-[methyl(octanoyl)amino]ethanesulfonate
CID 71586961

Frequently Asked Questions

What is the IUPAC name of sodium 2-(dimethylamino)ethanesulfonate?
The IUPAC name of sodium 2-(dimethylamino)ethanesulfonate (CID 23516383) is sodium 2-(dimethylamino)ethanesulfonate.
What is the SMILES notation for sodium 2-(dimethylamino)ethanesulfonate?
The canonical SMILES for sodium 2-(dimethylamino)ethanesulfonate is CN(C)CCS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(dimethylamino)ethanesulfonate?
The InChIKey is UCEFJLCCEBLUPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S.Na/c1-5(2)3-4-9(6,7)8;/h3-4H2,1-2H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of sodium 2-(dimethylamino)ethanesulfonate?
sodium 2-(dimethylamino)ethanesulfonate has a molecular weight of 175.18 g/mol, XLogP of -3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(dimethylamino)ethanesulfonate is sourced from PubChem (CID 23516383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).