3-(2-hydroxyethylsulfanyl)-N-methylpropanamide

C6H13NO2S — CID 62325395

IUPAC3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
SMILESCNC(=O)CCSCCO
InChIInChI=1S/C6H13NO2S/c1-7-6(9)2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyBBCXEDOCVLVVKH-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.15
Rot. Bonds5

About 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide

3-(2-hydroxyethylsulfanyl)-N-methylpropanamide (PubChem CID 62325395) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
PubChem CID62325395
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
SMILESCNC(=O)CCSCCO
InChIInChI=1S/C6H13NO2S/c1-7-6(9)2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyBBCXEDOCVLVVKH-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.15
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-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide (CID 62325395) is 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide is CNC(=O)CCSCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
The InChIKey is BBCXEDOCVLVVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-6(9)2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
3-(2-hydroxyethylsulfanyl)-N-methylpropanamide has a molecular weight of 163.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-N-methylpropanamide is sourced from PubChem (CID 62325395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).