1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane

C6H14NO4S- — CID 23002756

IUPAC1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane
SMILESCOCCCOCCNS(=O)[O-]
InChIInChI=1S/C6H15NO4S/c1-10-4-2-5-11-6-3-7-12(8)9/h7H,2-6H2,1H3,(H,8,9)/p-1
InChIKeyPJROLILDFFIISC-UHFFFAOYSA-M
MW196.25 g/mol
LogP-0.58
Rot. Bonds8

About 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane

1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane (PubChem CID 23002756) has the molecular formula C6H14NO4S- and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane.

Molecular Properties

Compound Name1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane
PubChem CID23002756
Molecular FormulaC6H14NO4S-
Molecular Weight196.25 g/mol
Exact Mass196.06
IUPAC Name1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane
SMILESCOCCCOCCNS(=O)[O-]
InChIInChI=1S/C6H15NO4S/c1-10-4-2-5-11-6-3-7-12(8)9/h7H,2-6H2,1H3,(H,8,9)/p-1
InChIKeyPJROLILDFFIISC-UHFFFAOYSA-M
XLogP-0.58
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-Methoxypropoxy)ethanamine
CID 60919306
1-Ethoxy-3-(sulfinatoamino)propane
CID 18938599
2-Ethoxyethylsulfamic acid
CID 21455711
1-(3-Ethoxypropoxy)-3-(sulfinatoamino)propane
CID 23002742
1-(2-Ethoxyethoxy)-2-(sulfinatoamino)ethane
CID 23002746
1-(2-Methoxyethoxy)-2-(sulfinatoamino)ethane
CID 23002750
1-Methoxy-2-(sulfinatoamino)propane
CID 57131576
1-Ethoxy-2-(sulfinatoamino)ethane
CID 57177456
1,3-Dimethoxy-2-(sulfinatoamino)propane
CID 57419762
1,3-Diethoxy-2-(sulfinatoamino)propane
CID 57419764
1-Ethoxy-2-(sulfinatoamino)propane
CID 57419766
1-Propoxy-2-(sulfinatoamino)propane
CID 57419774

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane?
The IUPAC name of 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane (CID 23002756) is 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane.
What is the SMILES notation for 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane?
The canonical SMILES for 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane is COCCCOCCNS(=O)[O-].
What is the InChIKey of 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane?
The InChIKey is PJROLILDFFIISC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO4S/c1-10-4-2-5-11-6-3-7-12(8)9/h7H,2-6H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane?
1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane has a molecular weight of 196.25 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(sulfinatoamino)ethoxy]propane is sourced from PubChem (CID 23002756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).