N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine

C11H24N2O2S — CID 7224353

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN[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/t11-/m1/s1
InChIKeySPLKEQUSHJHMGF-LLVKDONJSA-N
MW248.39 g/mol
LogP0.50
Rot. Bonds7

About N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine

N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 7224353) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine
PubChem CID7224353
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN[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/t11-/m1/s1
InChIKeySPLKEQUSHJHMGF-LLVKDONJSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine (CID 7224353) is N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCN[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is SPLKEQUSHJHMGF-LLVKDONJSA-N. 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/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine?
N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 248.39 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 7224353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).