N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide

C6H15NO6S2 — CID 82842853

IUPACN-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCOCCO
InChIInChI=1S/C6H15NO6S2/c1-14(9,10)6-15(11,12)7-2-4-13-5-3-8/h7-8H,2-6H2,1H3
InChIKeyGFUDZXNKUNOPTR-UHFFFAOYSA-N
MW261.32 g/mol
LogP-2.08
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82842853) has the molecular formula C6H15NO6S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82842853
Molecular FormulaC6H15NO6S2
Molecular Weight261.32 g/mol
Exact Mass261.03
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCOCCO
InChIInChI=1S/C6H15NO6S2/c1-14(9,10)6-15(11,12)7-2-4-13-5-3-8/h7-8H,2-6H2,1H3
InChIKeyGFUDZXNKUNOPTR-UHFFFAOYSA-N
XLogP-2.08
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842980
2-[2-(methylsulfamoylamino)ethoxy]ethanol
CID 114809454
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
CID 114625595
N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842362
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
CID 104600508
N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
CID 106125800
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide (CID 82842853) is N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is GFUDZXNKUNOPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6S2/c1-14(9,10)6-15(11,12)7-2-4-13-5-3-8/h7-8H,2-6H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of -2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).