N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide

C7H15NO2S — CID 22981931

IUPACN-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)SCCO
InChIInChI=1S/C7H15NO2S/c1-6(10)8(3)7(2)11-5-4-9/h7,9H,4-5H2,1-3H3
InChIKeyKQLXFUIHUJYYQI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.54
Rot. Bonds4

About N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide

N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide (PubChem CID 22981931) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide
PubChem CID22981931
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)SCCO
InChIInChI=1S/C7H15NO2S/c1-6(10)8(3)7(2)11-5-4-9/h7,9H,4-5H2,1-3H3
InChIKeyKQLXFUIHUJYYQI-UHFFFAOYSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide?
The IUPAC name of N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide (CID 22981931) is N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide is CC(=O)N(C)C(C)SCCO.
What is the InChIKey of N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide?
The InChIKey is KQLXFUIHUJYYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(10)8(3)7(2)11-5-4-9/h7,9H,4-5H2,1-3H3.
What are the key properties of N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide?
N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide has a molecular weight of 177.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 22981931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).