N-(2-methoxyethyl)formamide;sulfuric acid

C4H11NO6S — CID 161274600

IUPACN-(2-methoxyethyl)formamide;sulfuric acid
SMILESCOCCNC=O.O=S(=O)(O)O
InChIInChI=1S/C4H9NO2.H2O4S/c1-7-3-2-5-4-6;1-5(2,3)4/h4H,2-3H2,1H3,(H,5,6);(H2,1,2,3,4)
InChIKeyVEGPFCZTJSYSMQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP-1.27
Rot. Bonds4

About N-(2-methoxyethyl)formamide;sulfuric acid

N-(2-methoxyethyl)formamide;sulfuric acid (PubChem CID 161274600) has the molecular formula C4H11NO6S and a molecular weight of 201.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)formamide;sulfuric acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)formamide;sulfuric acid
PubChem CID161274600
Molecular FormulaC4H11NO6S
Molecular Weight201.20 g/mol
Exact Mass201.03
IUPAC NameN-(2-methoxyethyl)formamide;sulfuric acid
SMILESCOCCNC=O.O=S(=O)(O)O
InChIInChI=1S/C4H9NO2.H2O4S/c1-7-3-2-5-4-6;1-5(2,3)4/h4H,2-3H2,1H3,(H,5,6);(H2,1,2,3,4)
InChIKeyVEGPFCZTJSYSMQ-UHFFFAOYSA-N
XLogP-1.27
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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N-(2-methoxyethyl)-2-methylprop-1-en-1-amine
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N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057
2-(2-methoxyethylamino)acetaldehyde
CID 54243184
3-formamidopropyl dimethyl phosphate
CID 143134833
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)formamide;sulfuric acid?
The IUPAC name of N-(2-methoxyethyl)formamide;sulfuric acid (CID 161274600) is N-(2-methoxyethyl)formamide;sulfuric acid.
What is the SMILES notation for N-(2-methoxyethyl)formamide;sulfuric acid?
The canonical SMILES for N-(2-methoxyethyl)formamide;sulfuric acid is COCCNC=O.O=S(=O)(O)O.
What is the InChIKey of N-(2-methoxyethyl)formamide;sulfuric acid?
The InChIKey is VEGPFCZTJSYSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.H2O4S/c1-7-3-2-5-4-6;1-5(2,3)4/h4H,2-3H2,1H3,(H,5,6);(H2,1,2,3,4).
What are the key properties of N-(2-methoxyethyl)formamide;sulfuric acid?
N-(2-methoxyethyl)formamide;sulfuric acid has a molecular weight of 201.20 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)formamide;sulfuric acid is sourced from PubChem (CID 161274600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).