3-(dodecylamino)propyl sulfite

C15H32NO3S- — CID 57289477

IUPAC3-(dodecylamino)propyl sulfite
SMILESCCCCCCCCCCCCNCCCOS(=O)[O-]
InChIInChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19-20(17)18/h16H,2-15H2,1H3,(H,17,18)/p-1
InChIKeyRHNJFXVIXQBZNC-UHFFFAOYSA-M
MW306.49 g/mol
LogP3.70
Rot. Bonds16

About 3-(dodecylamino)propyl sulfite

3-(dodecylamino)propyl sulfite (PubChem CID 57289477) has the molecular formula C15H32NO3S- and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-(dodecylamino)propyl sulfite.

Molecular Properties

Compound Name3-(dodecylamino)propyl sulfite
PubChem CID57289477
Molecular FormulaC15H32NO3S-
Molecular Weight306.49 g/mol
Exact Mass306.21
IUPAC Name3-(dodecylamino)propyl sulfite
SMILESCCCCCCCCCCCCNCCCOS(=O)[O-]
InChIInChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19-20(17)18/h16H,2-15H2,1H3,(H,17,18)/p-1
InChIKeyRHNJFXVIXQBZNC-UHFFFAOYSA-M
XLogP3.70
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 3-(dodecylamino)propyl sulfite?
The IUPAC name of 3-(dodecylamino)propyl sulfite (CID 57289477) is 3-(dodecylamino)propyl sulfite.
What is the SMILES notation for 3-(dodecylamino)propyl sulfite?
The canonical SMILES for 3-(dodecylamino)propyl sulfite is CCCCCCCCCCCCNCCCOS(=O)[O-].
What is the InChIKey of 3-(dodecylamino)propyl sulfite?
The InChIKey is RHNJFXVIXQBZNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19-20(17)18/h16H,2-15H2,1H3,(H,17,18)/p-1.
What are the key properties of 3-(dodecylamino)propyl sulfite?
3-(dodecylamino)propyl sulfite has a molecular weight of 306.49 g/mol, XLogP of 3.70, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)propyl sulfite is sourced from PubChem (CID 57289477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).