2-methoxy-N-(3-methylsulfonylpropyl)acetamide

C7H15NO4S — CID 61149401

IUPAC2-methoxy-N-(3-methylsulfonylpropyl)acetamide
SMILESCOCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-12-6-7(9)8-4-3-5-13(2,10)11/h3-6H2,1-2H3,(H,8,9)
InChIKeyZUCFUVGKYLMXRB-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.82
Rot. Bonds6

About 2-methoxy-N-(3-methylsulfonylpropyl)acetamide

2-methoxy-N-(3-methylsulfonylpropyl)acetamide (PubChem CID 61149401) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylsulfonylpropyl)acetamide
PubChem CID61149401
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-methoxy-N-(3-methylsulfonylpropyl)acetamide
SMILESCOCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-12-6-7(9)8-4-3-5-13(2,10)11/h3-6H2,1-2H3,(H,8,9)
InChIKeyZUCFUVGKYLMXRB-UHFFFAOYSA-N
XLogP-0.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylsulfonylpropyl)acetamide
CID 61019975
2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide
CID 79472829
N-[2-(methanesulfonamido)ethyl]-2-methoxyacetamide
CID 60729923
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
2-methoxy-N-nonylacetamide
CID 86922058
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methylsulfonylpentanamide
CID 177226030
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
1-ethyl-3-(3-methylsulfonylpropyl)urea
CID 47481210
1-butyl-3-(3-methylsulfonylpropyl)urea
CID 115597957

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylsulfonylpropyl)acetamide?
The IUPAC name of 2-methoxy-N-(3-methylsulfonylpropyl)acetamide (CID 61149401) is 2-methoxy-N-(3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(3-methylsulfonylpropyl)acetamide?
The canonical SMILES for 2-methoxy-N-(3-methylsulfonylpropyl)acetamide is COCC(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-(3-methylsulfonylpropyl)acetamide?
The InChIKey is ZUCFUVGKYLMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-12-6-7(9)8-4-3-5-13(2,10)11/h3-6H2,1-2H3,(H,8,9).
What are the key properties of 2-methoxy-N-(3-methylsulfonylpropyl)acetamide?
2-methoxy-N-(3-methylsulfonylpropyl)acetamide has a molecular weight of 209.27 g/mol, XLogP of -0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 61149401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).