1-[(sulfinatoamino)methoxy]propane

C4H10NO3S- — CID 123513637

IUPAC1-[(sulfinatoamino)methoxy]propane
SMILESCCCOCNS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-2-3-8-4-5-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyGTIJHCXBFUVXSM-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.25
Rot. Bonds5

About 1-[(sulfinatoamino)methoxy]propane

1-[(sulfinatoamino)methoxy]propane (PubChem CID 123513637) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-[(sulfinatoamino)methoxy]propane.

Molecular Properties

Compound Name1-[(sulfinatoamino)methoxy]propane
PubChem CID123513637
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name1-[(sulfinatoamino)methoxy]propane
SMILESCCCOCNS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-2-3-8-4-5-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyGTIJHCXBFUVXSM-UHFFFAOYSA-M
XLogP-0.25
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(sulfinatoamino)methoxy]propane?
The IUPAC name of 1-[(sulfinatoamino)methoxy]propane (CID 123513637) is 1-[(sulfinatoamino)methoxy]propane.
What is the SMILES notation for 1-[(sulfinatoamino)methoxy]propane?
The canonical SMILES for 1-[(sulfinatoamino)methoxy]propane is CCCOCNS(=O)[O-].
What is the InChIKey of 1-[(sulfinatoamino)methoxy]propane?
The InChIKey is GTIJHCXBFUVXSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c1-2-3-8-4-5-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1.
What are the key properties of 1-[(sulfinatoamino)methoxy]propane?
1-[(sulfinatoamino)methoxy]propane has a molecular weight of 152.19 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(sulfinatoamino)methoxy]propane is sourced from PubChem (CID 123513637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).