N-(2-methoxyethyl)-2-sulfanylpropanamide

C6H13NO2S — CID 59676365

IUPACN-(2-methoxyethyl)-2-sulfanylpropanamide
SMILESCOCCNC(=O)C(C)S
InChIInChI=1S/C6H13NO2S/c1-5(10)6(8)7-3-4-9-2/h5,10H,3-4H2,1-2H3,(H,7,8)
InChIKeyOUDWITPVPYJNDH-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.07
Rot. Bonds4

About N-(2-methoxyethyl)-2-sulfanylpropanamide

N-(2-methoxyethyl)-2-sulfanylpropanamide (PubChem CID 59676365) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-sulfanylpropanamide
PubChem CID59676365
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(2-methoxyethyl)-2-sulfanylpropanamide
SMILESCOCCNC(=O)C(C)S
InChIInChI=1S/C6H13NO2S/c1-5(10)6(8)7-3-4-9-2/h5,10H,3-4H2,1-2H3,(H,7,8)
InChIKeyOUDWITPVPYJNDH-UHFFFAOYSA-N
XLogP0.07
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-sulfanylpropanamide?
The IUPAC name of N-(2-methoxyethyl)-2-sulfanylpropanamide (CID 59676365) is N-(2-methoxyethyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-sulfanylpropanamide is COCCNC(=O)C(C)S.
What is the InChIKey of N-(2-methoxyethyl)-2-sulfanylpropanamide?
The InChIKey is OUDWITPVPYJNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5(10)6(8)7-3-4-9-2/h5,10H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N-(2-methoxyethyl)-2-sulfanylpropanamide?
N-(2-methoxyethyl)-2-sulfanylpropanamide has a molecular weight of 163.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-sulfanylpropanamide is sourced from PubChem (CID 59676365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).