2-methoxyethyl(sulfo)sulfamic acid

C3H9NO7S2 — CID 15889416

IUPAC2-methoxyethyl(sulfo)sulfamic acid
SMILESCOCCN(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H9NO7S2/c1-11-3-2-4(12(5,6)7)13(8,9)10/h2-3H2,1H3,(H,5,6,7)(H,8,9,10)
InChIKeyYXMQPBWNIPOVNO-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.46
Rot. Bonds5

About 2-methoxyethyl(sulfo)sulfamic acid

2-methoxyethyl(sulfo)sulfamic acid (PubChem CID 15889416) has the molecular formula C3H9NO7S2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-methoxyethyl(sulfo)sulfamic acid.

Molecular Properties

Compound Name2-methoxyethyl(sulfo)sulfamic acid
PubChem CID15889416
Molecular FormulaC3H9NO7S2
Molecular Weight235.24 g/mol
Exact Mass234.98
IUPAC Name2-methoxyethyl(sulfo)sulfamic acid
SMILESCOCCN(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H9NO7S2/c1-11-3-2-4(12(5,6)7)13(8,9)10/h2-3H2,1H3,(H,5,6,7)(H,8,9,10)
InChIKeyYXMQPBWNIPOVNO-UHFFFAOYSA-N
XLogP-1.46
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
CID 173075807
2-(dimethylamino)ethyl-sulfosulfamic acid
CID 15889414
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
2,2-dimethoxyethyl(sulfo)sulfamic acid
CID 15889422
ethane;2-[2-[2-methoxyethyl(2-sulfoethyl)amino]ethyl-methylamino]ethanesulfonic acid
CID 145098247
N,N-bis[ethenyl(dimethyl)-λ4-sulfanyl]-2-methoxyethanamine
CID 134221512
methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate
CID 88598116
1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide
CID 63665176
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
CID 58998146
CID 58998146

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(sulfo)sulfamic acid?
The IUPAC name of 2-methoxyethyl(sulfo)sulfamic acid (CID 15889416) is 2-methoxyethyl(sulfo)sulfamic acid.
What is the SMILES notation for 2-methoxyethyl(sulfo)sulfamic acid?
The canonical SMILES for 2-methoxyethyl(sulfo)sulfamic acid is COCCN(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of 2-methoxyethyl(sulfo)sulfamic acid?
The InChIKey is YXMQPBWNIPOVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO7S2/c1-11-3-2-4(12(5,6)7)13(8,9)10/h2-3H2,1H3,(H,5,6,7)(H,8,9,10).
What are the key properties of 2-methoxyethyl(sulfo)sulfamic acid?
2-methoxyethyl(sulfo)sulfamic acid has a molecular weight of 235.24 g/mol, XLogP of -1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(sulfo)sulfamic acid is sourced from PubChem (CID 15889416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).