1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane

C8H19N2O2S- — CID 56999194

IUPAC1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane
SMILESCCCN(CCC)CCNS(=O)[O-]
InChIInChI=1S/C8H20N2O2S/c1-3-6-10(7-4-2)8-5-9-13(11)12/h9H,3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyMINDQRHLKJIECH-UHFFFAOYSA-M
MW207.32 g/mol
LogP0.49
Rot. Bonds8

About 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane

1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane (PubChem CID 56999194) has the molecular formula C8H19N2O2S- and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane.

Molecular Properties

Compound Name1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane
PubChem CID56999194
Molecular FormulaC8H19N2O2S-
Molecular Weight207.32 g/mol
Exact Mass207.12
IUPAC Name1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane
SMILESCCCN(CCC)CCNS(=O)[O-]
InChIInChI=1S/C8H20N2O2S/c1-3-6-10(7-4-2)8-5-9-13(11)12/h9H,3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyMINDQRHLKJIECH-UHFFFAOYSA-M
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(sulfinatoamino)ethyl]amino]propane?
The IUPAC name of 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane (CID 56999194) is 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane.
What is the SMILES notation for 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane?
The canonical SMILES for 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane is CCCN(CCC)CCNS(=O)[O-].
What is the InChIKey of 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane?
The InChIKey is MINDQRHLKJIECH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N2O2S/c1-3-6-10(7-4-2)8-5-9-13(11)12/h9H,3-8H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane?
1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane has a molecular weight of 207.32 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl-[2-(sulfinatoamino)ethyl]amino]propane is sourced from PubChem (CID 56999194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).