1-[Propyl(sulfino)amino]propane

C6H15NO2S — CID 17894619

IUPAC1-[propyl(sulfino)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)
InChIKeyDLORSDVKZFSEKN-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.80
Rot. Bonds5

About 1-[Propyl(sulfino)amino]propane

1-[Propyl(sulfino)amino]propane (PubChem CID 17894619) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-[propyl(sulfino)amino]propane.

Molecular Properties

Compound Name1-[Propyl(sulfino)amino]propane
PubChem CID17894619
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name1-[propyl(sulfino)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)
InChIKeyDLORSDVKZFSEKN-UHFFFAOYSA-N
XLogP1.80
TPSA59.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity102

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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(sulfino)amino]propane?
The IUPAC name of 1-[Propyl(sulfino)amino]propane (CID 17894619) is 1-[propyl(sulfino)amino]propane.
What is the SMILES notation for 1-[Propyl(sulfino)amino]propane?
The canonical SMILES for 1-[Propyl(sulfino)amino]propane is CCCN(CCC)S(=O)O.
What is the InChIKey of 1-[Propyl(sulfino)amino]propane?
The InChIKey is DLORSDVKZFSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-5-7(6-4-2)10(8)9/h3-6H2,1-2H3,(H,8,9).
What are the key properties of 1-[Propyl(sulfino)amino]propane?
1-[Propyl(sulfino)amino]propane has a molecular weight of 165.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[Propyl(sulfino)amino]propane is sourced from PubChem (CID 17894619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).