3-(methylamino)propyl sulfite

C4H10NO3S- — CID 57067037

IUPAC3-(methylamino)propyl sulfite
SMILESCNCCCOS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-5-3-2-4-8-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyXCCIYJVIBNFHJQ-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.59
Rot. Bonds5

About 3-(methylamino)propyl sulfite

3-(methylamino)propyl sulfite (PubChem CID 57067037) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-(methylamino)propyl sulfite.

Molecular Properties

Compound Name3-(methylamino)propyl sulfite
PubChem CID57067037
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name3-(methylamino)propyl sulfite
SMILESCNCCCOS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-5-3-2-4-8-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyXCCIYJVIBNFHJQ-UHFFFAOYSA-M
XLogP-0.59
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.59
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

potassium 3-fluoropropyl sulfite
CID 174672463
3-(cyclohexylamino)propyl sulfite
CID 57055219
3-methoxycarbonyloxypropyl sulfite
CID 118684463
potassium 3-chloropropyl sulfite
CID 174658395
4-dimethylsilylbutyl sulfite
CID 123590265
potassium;hydride;octyl sulfite
CID 174439661
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
2-methoxyethyl sulfite
CID 54514151
5-aminopentyl sulfite
CID 57200749
3-[(5-methyl-1,3-thiazol-2-yl)amino]propyl sulfite
CID 174855115
4-(cyclohexylamino)butyl sulfite
CID 91264096
3-benzamidopropyl sulfite
CID 174467673

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propyl sulfite?
The IUPAC name of 3-(methylamino)propyl sulfite (CID 57067037) is 3-(methylamino)propyl sulfite.
What is the SMILES notation for 3-(methylamino)propyl sulfite?
The canonical SMILES for 3-(methylamino)propyl sulfite is CNCCCOS(=O)[O-].
What is the InChIKey of 3-(methylamino)propyl sulfite?
The InChIKey is XCCIYJVIBNFHJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c1-5-3-2-4-8-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1.
What are the key properties of 3-(methylamino)propyl sulfite?
3-(methylamino)propyl sulfite has a molecular weight of 152.19 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propyl sulfite is sourced from PubChem (CID 57067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).