N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide

C7H18N2O6S2 — CID 59747327

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)NCCOCCO
InChIInChI=1S/C7H18N2O6S2/c1-16(11,12)8-3-7-17(13,14)9-2-5-15-6-4-10/h8-10H,2-7H2,1H3
InChIKeyCIRINCVKARBZRK-UHFFFAOYSA-N
MW290.36 g/mol
LogP-2.54
Rot. Bonds10

About N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide (PubChem CID 59747327) has the molecular formula C7H18N2O6S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide
PubChem CID59747327
Molecular FormulaC7H18N2O6S2
Molecular Weight290.36 g/mol
Exact Mass290.06
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)NCCOCCO
InChIInChI=1S/C7H18N2O6S2/c1-16(11,12)8-3-7-17(13,14)9-2-5-15-6-4-10/h8-10H,2-7H2,1H3
InChIKeyCIRINCVKARBZRK-UHFFFAOYSA-N
XLogP-2.54
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-2.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide (CID 59747327) is N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide is CS(=O)(=O)NCCS(=O)(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide?
The InChIKey is CIRINCVKARBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O6S2/c1-16(11,12)8-3-7-17(13,14)9-2-5-15-6-4-10/h8-10H,2-7H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of -2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide is sourced from PubChem (CID 59747327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).