2-(3-methoxypropylsulfanyl)-N-methylacetamide

C7H15NO2S — CID 59848086

IUPAC2-(3-methoxypropylsulfanyl)-N-methylacetamide
SMILESCNC(=O)CSCCCOC
InChIInChI=1S/C7H15NO2S/c1-8-7(9)6-11-5-3-4-10-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyGLPSLRIMNJJKIA-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.50
Rot. Bonds6

About 2-(3-methoxypropylsulfanyl)-N-methylacetamide

2-(3-methoxypropylsulfanyl)-N-methylacetamide (PubChem CID 59848086) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)-N-methylacetamide
PubChem CID59848086
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-(3-methoxypropylsulfanyl)-N-methylacetamide
SMILESCNC(=O)CSCCCOC
InChIInChI=1S/C7H15NO2S/c1-8-7(9)6-11-5-3-4-10-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyGLPSLRIMNJJKIA-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
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 2-(3-methoxypropylsulfanyl)-N-methylacetamide?
The IUPAC name of 2-(3-methoxypropylsulfanyl)-N-methylacetamide (CID 59848086) is 2-(3-methoxypropylsulfanyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)-N-methylacetamide?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)-N-methylacetamide is CNC(=O)CSCCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)-N-methylacetamide?
The InChIKey is GLPSLRIMNJJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-8-7(9)6-11-5-3-4-10-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of 2-(3-methoxypropylsulfanyl)-N-methylacetamide?
2-(3-methoxypropylsulfanyl)-N-methylacetamide has a molecular weight of 177.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 59848086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).