2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide

C7H18N2O6S2 — CID 59594112

IUPAC2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)CCN(CCO)CCO
InChIInChI=1S/C7H18N2O6S2/c1-16(12,13)8-17(14,15)7-4-9(2-5-10)3-6-11/h8,10-11H,2-7H2,1H3
InChIKeyXXBWBRLFWKOOTC-UHFFFAOYSA-N
MW290.36 g/mol
LogP-2.85
Rot. Bonds9

About 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide

2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide (PubChem CID 59594112) has the molecular formula C7H18N2O6S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide
PubChem CID59594112
Molecular FormulaC7H18N2O6S2
Molecular Weight290.36 g/mol
Exact Mass290.06
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)CCN(CCO)CCO
InChIInChI=1S/C7H18N2O6S2/c1-16(12,13)8-17(14,15)7-4-9(2-5-10)3-6-11/h8,10-11H,2-7H2,1H3
InChIKeyXXBWBRLFWKOOTC-UHFFFAOYSA-N
XLogP-2.85
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-2.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 23568037
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
CID 174108432
copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate
CID 174895365
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide (CID 59594112) is 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide is CS(=O)(=O)NS(=O)(=O)CCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide?
The InChIKey is XXBWBRLFWKOOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O6S2/c1-16(12,13)8-17(14,15)7-4-9(2-5-10)3-6-11/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide?
2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of -2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide is sourced from PubChem (CID 59594112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).