1-[amino(sulfino)amino]propane

C3H10N2O2S — CID 57262062

IUPAC1-[amino(sulfino)amino]propane
SMILESCCCN(N)S(=O)O
InChIInChI=1S/C3H10N2O2S/c1-2-3-5(4)8(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyHYYJGEMAMLJGNE-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.29
Rot. Bonds3

About 1-[amino(sulfino)amino]propane

1-[amino(sulfino)amino]propane (PubChem CID 57262062) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 1-[amino(sulfino)amino]propane.

Molecular Properties

Compound Name1-[amino(sulfino)amino]propane
PubChem CID57262062
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC Name1-[amino(sulfino)amino]propane
SMILESCCCN(N)S(=O)O
InChIInChI=1S/C3H10N2O2S/c1-2-3-5(4)8(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyHYYJGEMAMLJGNE-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(sulfino)amino]hexadecane
CID 57239401
[propyl(sulfino)amino]methylbenzene
CID 57043220
N-methyl-N-propylmethanesulfinamide
CID 123481473
N-propylbutanehydrazide
CID 165487733
2-[propyl(sulfino)amino]thiophene
CID 90712855
potassium;butane;hydrogen sulfite
CID 174393404
1-oxido-1-propylhydrazine
CID 154118656
amino N-amino-N-propylcarbamate
CID 57295452
3-ethyl-3-[(3-ethyl-2,2-dimethylpentan-3-yl)-sulfinoamino]-2,2-dimethylpentane
CID 91206934
1-[formyl(sulfino)amino]dodecane
CID 57293711
1-[amino(sulfamoyl)amino]propane
CID 90113026
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730

Frequently Asked Questions

What is the IUPAC name of 1-[amino(sulfino)amino]propane?
The IUPAC name of 1-[amino(sulfino)amino]propane (CID 57262062) is 1-[amino(sulfino)amino]propane.
What is the SMILES notation for 1-[amino(sulfino)amino]propane?
The canonical SMILES for 1-[amino(sulfino)amino]propane is CCCN(N)S(=O)O.
What is the InChIKey of 1-[amino(sulfino)amino]propane?
The InChIKey is HYYJGEMAMLJGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-2-3-5(4)8(6)7/h2-4H2,1H3,(H,6,7).
What are the key properties of 1-[amino(sulfino)amino]propane?
1-[amino(sulfino)amino]propane has a molecular weight of 138.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(sulfino)amino]propane is sourced from PubChem (CID 57262062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).