3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide

C7H15NO2S — CID 117126620

IUPAC3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCCSCCC(=O)NCCO
InChIInChI=1S/C7H15NO2S/c1-2-11-6-3-7(10)8-4-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyYUFZMMRYKFAQLZ-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.24
Rot. Bonds6

About 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide

3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide (PubChem CID 117126620) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide
PubChem CID117126620
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCCSCCC(=O)NCCO
InChIInChI=1S/C7H15NO2S/c1-2-11-6-3-7(10)8-4-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyYUFZMMRYKFAQLZ-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide (CID 117126620) is 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide is CCSCCC(=O)NCCO.
What is the InChIKey of 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is YUFZMMRYKFAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-11-6-3-7(10)8-4-5-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide?
3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 177.27 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 117126620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).