2-[2-(methylamino)ethoxy]ethanesulfinic acid

C5H13NO3S — CID 134379134

IUPAC2-[2-(methylamino)ethoxy]ethanesulfinic acid
SMILESCNCCOCCS(=O)O
InChIInChI=1S/C5H13NO3S/c1-6-2-3-9-4-5-10(7)8/h6H,2-5H2,1H3,(H,7,8)
InChIKeyNRQQDNQPGJGQHD-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.56
Rot. Bonds6

About 2-[2-(methylamino)ethoxy]ethanesulfinic acid

2-[2-(methylamino)ethoxy]ethanesulfinic acid (PubChem CID 134379134) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]ethanesulfinic acid.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]ethanesulfinic acid
PubChem CID134379134
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2-[2-(methylamino)ethoxy]ethanesulfinic acid
SMILESCNCCOCCS(=O)O
InChIInChI=1S/C5H13NO3S/c1-6-2-3-9-4-5-10(7)8/h6H,2-5H2,1H3,(H,7,8)
InChIKeyNRQQDNQPGJGQHD-UHFFFAOYSA-N
XLogP-0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methylamino)ethoxy]ethanesulfinate
CID 134379133
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
CID 87799923
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]ethanesulfinic acid?
The IUPAC name of 2-[2-(methylamino)ethoxy]ethanesulfinic acid (CID 134379134) is 2-[2-(methylamino)ethoxy]ethanesulfinic acid.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]ethanesulfinic acid?
The canonical SMILES for 2-[2-(methylamino)ethoxy]ethanesulfinic acid is CNCCOCCS(=O)O.
What is the InChIKey of 2-[2-(methylamino)ethoxy]ethanesulfinic acid?
The InChIKey is NRQQDNQPGJGQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-6-2-3-9-4-5-10(7)8/h6H,2-5H2,1H3,(H,7,8).
What are the key properties of 2-[2-(methylamino)ethoxy]ethanesulfinic acid?
2-[2-(methylamino)ethoxy]ethanesulfinic acid has a molecular weight of 167.23 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]ethanesulfinic acid is sourced from PubChem (CID 134379134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).