2-[2-(methylsulfamoylamino)ethoxy]ethanol

C5H14N2O4S — CID 114809454

IUPAC2-[2-(methylsulfamoylamino)ethoxy]ethanol
SMILESCNS(=O)(=O)NCCOCCO
InChIInChI=1S/C5H14N2O4S/c1-6-12(9,10)7-2-4-11-5-3-8/h6-8H,2-5H2,1H3
InChIKeyCRDADRAZJUNEJW-UHFFFAOYSA-N
MW198.24 g/mol
LogP-1.95
Rot. Bonds7

About 2-[2-(methylsulfamoylamino)ethoxy]ethanol

2-[2-(methylsulfamoylamino)ethoxy]ethanol (PubChem CID 114809454) has the molecular formula C5H14N2O4S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-[2-(methylsulfamoylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(methylsulfamoylamino)ethoxy]ethanol
PubChem CID114809454
Molecular FormulaC5H14N2O4S
Molecular Weight198.24 g/mol
Exact Mass198.07
IUPAC Name2-[2-(methylsulfamoylamino)ethoxy]ethanol
SMILESCNS(=O)(=O)NCCOCCO
InChIInChI=1S/C5H14N2O4S/c1-6-12(9,10)7-2-4-11-5-3-8/h6-8H,2-5H2,1H3
InChIKeyCRDADRAZJUNEJW-UHFFFAOYSA-N
XLogP-1.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842853
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-(2-methylhydrazinyl)ethoxy]ethanol
CID 163916077
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
CID 134581965
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
CID 116791811
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[2-(ethylsulfamoylamino)ethoxy]ethanamine
CID 114812763
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(methylsulfamoylamino)ethoxy]ethanol (CID 114809454) is 2-[2-(methylsulfamoylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(methylsulfamoylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(methylsulfamoylamino)ethoxy]ethanol is CNS(=O)(=O)NCCOCCO.
What is the InChIKey of 2-[2-(methylsulfamoylamino)ethoxy]ethanol?
The InChIKey is CRDADRAZJUNEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4S/c1-6-12(9,10)7-2-4-11-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-[2-(methylsulfamoylamino)ethoxy]ethanol?
2-[2-(methylsulfamoylamino)ethoxy]ethanol has a molecular weight of 198.24 g/mol, XLogP of -1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoylamino)ethoxy]ethanol is sourced from PubChem (CID 114809454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).