1-methoxy-2-(sulfinatoamino)propane

C4H10NO3S- — CID 57131576

IUPAC1-methoxy-2-(sulfinatoamino)propane
SMILESCOCC(C)NS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-4(3-8-2)5-9(6)7/h4-5H,3H2,1-2H3,(H,6,7)/p-1
InChIKeyDWOZERPVCWTXCA-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.60
Rot. Bonds4

About 1-methoxy-2-(sulfinatoamino)propane

1-methoxy-2-(sulfinatoamino)propane (PubChem CID 57131576) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-methoxy-2-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-methoxy-2-(sulfinatoamino)propane
PubChem CID57131576
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name1-methoxy-2-(sulfinatoamino)propane
SMILESCOCC(C)NS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-4(3-8-2)5-9(6)7/h4-5H,3H2,1-2H3,(H,6,7)/p-1
InChIKeyDWOZERPVCWTXCA-UHFFFAOYSA-M
XLogP-0.60
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(sulfinatoamino)propane?
The IUPAC name of 1-methoxy-2-(sulfinatoamino)propane (CID 57131576) is 1-methoxy-2-(sulfinatoamino)propane.
What is the SMILES notation for 1-methoxy-2-(sulfinatoamino)propane?
The canonical SMILES for 1-methoxy-2-(sulfinatoamino)propane is COCC(C)NS(=O)[O-].
What is the InChIKey of 1-methoxy-2-(sulfinatoamino)propane?
The InChIKey is DWOZERPVCWTXCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c1-4(3-8-2)5-9(6)7/h4-5H,3H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 1-methoxy-2-(sulfinatoamino)propane?
1-methoxy-2-(sulfinatoamino)propane has a molecular weight of 152.19 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(sulfinatoamino)propane is sourced from PubChem (CID 57131576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).