1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine

C11H23N3O2S — CID 55108617

IUPAC1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2CS(=O)(=O)CC2N)CC1
InChIInChI=1S/C11H23N3O2S/c1-13(2)9-3-5-14(6-4-9)11-8-17(15,16)7-10(11)12/h9-11H,3-8,12H2,1-2H3
InChIKeyASQPDFBOLXZGHA-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.86
Rot. Bonds2

About 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine

1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 55108617) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID55108617
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2CS(=O)(=O)CC2N)CC1
InChIInChI=1S/C11H23N3O2S/c1-13(2)9-3-5-14(6-4-9)11-8-17(15,16)7-10(11)12/h9-11H,3-8,12H2,1-2H3
InChIKeyASQPDFBOLXZGHA-UHFFFAOYSA-N
XLogP-0.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine 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 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine (CID 55108617) is 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2CS(=O)(=O)CC2N)CC1.
What is the InChIKey of 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is ASQPDFBOLXZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-13(2)9-3-5-14(6-4-9)11-8-17(15,16)7-10(11)12/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine?
1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55108617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).