1-aminopropan-2-yl sulfite

C3H8NO3S- — CID 174396129

IUPAC1-aminopropan-2-yl sulfite
SMILESCC(CN)OS(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-3(2-4)7-8(5)6/h3H,2,4H2,1H3,(H,5,6)/p-1
InChIKeyDFZBCZLWSHWCSQ-UHFFFAOYSA-M
MW138.17 g/mol
LogP-0.86
Rot. Bonds3

About 1-aminopropan-2-yl sulfite

1-aminopropan-2-yl sulfite (PubChem CID 174396129) has the molecular formula C3H8NO3S- and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-aminopropan-2-yl sulfite.

Molecular Properties

Compound Name1-aminopropan-2-yl sulfite
PubChem CID174396129
Molecular FormulaC3H8NO3S-
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC Name1-aminopropan-2-yl sulfite
SMILESCC(CN)OS(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-3(2-4)7-8(5)6/h3H,2,4H2,1H3,(H,5,6)/p-1
InChIKeyDFZBCZLWSHWCSQ-UHFFFAOYSA-M
XLogP-0.86
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentan-2-yl sulfite
CID 57157047
1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite
CID 175560298
[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite
CID 174687720
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propan-2-yl sulfite
CID 138635010
pentan-3-yl sulfite
CID 57040863
4-but-2-enoyloxybutan-2-yl sulfite
CID 174948487
(5-amino-3-iminopentan-2-yl) sulfite
CID 91805846
1-hydroxypropyl sulfite
CID 20545655
[1-oxo-1-(2,2,2-trifluoroethoxy)propan-2-yl] sulfite
CID 118684443
3-methylbutanoyl sulfite
CID 91281137
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097
1-chloropentyl sulfite
CID 174423721

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl sulfite?
The IUPAC name of 1-aminopropan-2-yl sulfite (CID 174396129) is 1-aminopropan-2-yl sulfite.
What is the SMILES notation for 1-aminopropan-2-yl sulfite?
The canonical SMILES for 1-aminopropan-2-yl sulfite is CC(CN)OS(=O)[O-].
What is the InChIKey of 1-aminopropan-2-yl sulfite?
The InChIKey is DFZBCZLWSHWCSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S/c1-3(2-4)7-8(5)6/h3H,2,4H2,1H3,(H,5,6)/p-1.
What are the key properties of 1-aminopropan-2-yl sulfite?
1-aminopropan-2-yl sulfite has a molecular weight of 138.17 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl sulfite is sourced from PubChem (CID 174396129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).