1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane

C6H15NO5S — CID 167001842

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane
SMILESO=S(O)NCCOCCOCCO
InChIInChI=1S/C6H15NO5S/c8-2-4-12-6-5-11-3-1-7-13(9)10/h7-8H,1-6H2,(H,9,10)
InChIKeyKBYSOKNSIQYUCZ-UHFFFAOYSA-N
MW213.25 g/mol
LogP-1.26
Rot. Bonds9

About 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane

1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane (PubChem CID 167001842) has the molecular formula C6H15NO5S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane
PubChem CID167001842
Molecular FormulaC6H15NO5S
Molecular Weight213.25 g/mol
Exact Mass213.07
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane
SMILESO=S(O)NCCOCCOCCO
InChIInChI=1S/C6H15NO5S/c8-2-4-12-6-5-11-3-1-7-13(9)10/h7-8H,1-6H2,(H,9,10)
InChIKeyKBYSOKNSIQYUCZ-UHFFFAOYSA-N
XLogP-1.26
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
1-(2-aminoethoxy)-3-(sulfinoamino)propane
CID 146230326
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
2-[2-[2-[2-(2-aminoethylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 19879172
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane (CID 167001842) is 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane is O=S(O)NCCOCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane?
The InChIKey is KBYSOKNSIQYUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO5S/c8-2-4-12-6-5-11-3-1-7-13(9)10/h7-8H,1-6H2,(H,9,10).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane?
1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane has a molecular weight of 213.25 g/mol, XLogP of -1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane is sourced from PubChem (CID 167001842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).