2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide

C9H18N2O5S — CID 123388692

IUPAC2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide
SMILESCSCC(=O)NCCOC(CO)NC(=O)CO
InChIInChI=1S/C9H18N2O5S/c1-17-6-8(15)10-2-3-16-9(5-13)11-7(14)4-12/h9,12-13H,2-6H2,1H3,(H,10,15)(H,11,14)
InChIKeyHWTBFJKAXBTDIB-UHFFFAOYSA-N
MW266.32 g/mol
LogP-2.09
Rot. Bonds9

About 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide

2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide (PubChem CID 123388692) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide
PubChem CID123388692
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide
SMILESCSCC(=O)NCCOC(CO)NC(=O)CO
InChIInChI=1S/C9H18N2O5S/c1-17-6-8(15)10-2-3-16-9(5-13)11-7(14)4-12/h9,12-13H,2-6H2,1H3,(H,10,15)(H,11,14)
InChIKeyHWTBFJKAXBTDIB-UHFFFAOYSA-N
XLogP-2.09
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide?
The IUPAC name of 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide (CID 123388692) is 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide is CSCC(=O)NCCOC(CO)NC(=O)CO.
What is the InChIKey of 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide?
The InChIKey is HWTBFJKAXBTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-17-6-8(15)10-2-3-16-9(5-13)11-7(14)4-12/h9,12-13H,2-6H2,1H3,(H,10,15)(H,11,14).
What are the key properties of 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide?
2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide has a molecular weight of 266.32 g/mol, XLogP of -2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide is sourced from PubChem (CID 123388692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).