1-[propyl(sulfinato)amino]propane

C6H14NO2S- — CID 21161749

IUPAC1-[propyl(sulfinato)amino]propane
SMILESCCCN(CCC)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-5-7(6-4-2)10(8)9/h3-6H2,1-2H3,(H,8,9)/p-1
InChIKeyDLORSDVKZFSEKN-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.90
Rot. Bonds5

About 1-[propyl(sulfinato)amino]propane

1-[propyl(sulfinato)amino]propane (PubChem CID 21161749) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[propyl(sulfinato)amino]propane.

Molecular Properties

Compound Name1-[propyl(sulfinato)amino]propane
PubChem CID21161749
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name1-[propyl(sulfinato)amino]propane
SMILESCCCN(CCC)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-5-7(6-4-2)10(8)9/h3-6H2,1-2H3,(H,8,9)/p-1
InChIKeyDLORSDVKZFSEKN-UHFFFAOYSA-M
XLogP0.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[propyl(sulfinato)amino]propane?
The IUPAC name of 1-[propyl(sulfinato)amino]propane (CID 21161749) is 1-[propyl(sulfinato)amino]propane.
What is the SMILES notation for 1-[propyl(sulfinato)amino]propane?
The canonical SMILES for 1-[propyl(sulfinato)amino]propane is CCCN(CCC)S(=O)[O-].
What is the InChIKey of 1-[propyl(sulfinato)amino]propane?
The InChIKey is DLORSDVKZFSEKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-3-5-7(6-4-2)10(8)9/h3-6H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 1-[propyl(sulfinato)amino]propane?
1-[propyl(sulfinato)amino]propane has a molecular weight of 164.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(sulfinato)amino]propane is sourced from PubChem (CID 21161749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).