3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium

C11H26N2O2S+2 — CID 7224352

IUPAC3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium
SMILESCC[NH+](CC)CCC[NH2+][C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H24N2O2S/c1-3-13(4-2)8-5-7-12-11-6-9-16(14,15)10-11/h11-12H,3-10H2,1-2H3/p+2/t11-/m1/s1
InChIKeySPLKEQUSHJHMGF-LLVKDONJSA-P
MW250.41 g/mol
LogP-1.95
Rot. Bonds7

About 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium

3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium (PubChem CID 7224352) has the molecular formula C11H26N2O2S+2 and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium.

Molecular Properties

Compound Name3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium
PubChem CID7224352
Molecular FormulaC11H26N2O2S+2
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium
SMILESCC[NH+](CC)CCC[NH2+][C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H24N2O2S/c1-3-13(4-2)8-5-7-12-11-6-9-16(14,15)10-11/h11-12H,3-10H2,1-2H3/p+2/t11-/m1/s1
InChIKeySPLKEQUSHJHMGF-LLVKDONJSA-P
XLogP-1.95
TPSA55.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium?
The IUPAC name of 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium (CID 7224352) is 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium.
What is the SMILES notation for 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium?
The canonical SMILES for 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium is CC[NH+](CC)CCC[NH2+][C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium?
The InChIKey is SPLKEQUSHJHMGF-LLVKDONJSA-P. The full InChI is InChI=1S/C11H24N2O2S/c1-3-13(4-2)8-5-7-12-11-6-9-16(14,15)10-11/h11-12H,3-10H2,1-2H3/p+2/t11-/m1/s1.
What are the key properties of 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium?
3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium has a molecular weight of 250.41 g/mol, XLogP of -1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1,1-dioxothiolan-3-yl]azaniumyl]propyl-diethylazanium is sourced from PubChem (CID 7224352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).