N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide

C7H15NO3S — CID 58788598

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCOCCO
InChIInChI=1S/C7H15NO3S/c1-12-6-7(10)8-2-4-11-5-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyDZNFVTIIFCCEAI-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.53
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide

N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide (PubChem CID 58788598) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide
PubChem CID58788598
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCOCCO
InChIInChI=1S/C7H15NO3S/c1-12-6-7(10)8-2-4-11-5-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyDZNFVTIIFCCEAI-UHFFFAOYSA-N
XLogP-0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetamidoethoxyethanol
CID 14143909
Methylthioacetylaminoethanol
CID 155653
N-(2-methoxyethyl)-2-methylsulfanylacetamide
CID 19001713
N-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylpropanamide
CID 19080672
S-[1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl] ethanethioate
CID 22377131
N-[2-(2-Hydroxyethoxy)ethyl]-3-sulfanylpropanamide
CID 51340877
S-[(2S)-1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl] ethanethioate
CID 57192967
2-[2-(2-Methylsulfanylethylamino)ethoxy]ethanol
CID 60689478
N-[2-(2-Hydroxyethoxy)ethyl]-2-mercaptoacetamide
CID 65627218
N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide
CID 88544622
2-hydroxy-N-[2-[2-hydroxy-1-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide
CID 89465113
2-hydroxy-N-[2-hydroxy-1-[2-[(2-methylsulfanylacetyl)amino]ethoxy]ethyl]acetamide
CID 123388692

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide (CID 58788598) is N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide is CSCC(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide?
The InChIKey is DZNFVTIIFCCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12-6-7(10)8-2-4-11-5-3-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide has a molecular weight of 193.27 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 58788598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).