1-(dithiolan-3-yl)-N,N-dimethylmethanamine

C6H13NS2 — CID 14442316

IUPAC1-(dithiolan-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCSS1
InChIInChI=1S/C6H13NS2/c1-7(2)5-6-3-4-8-9-6/h6H,3-5H2,1-2H3
InChIKeyLZRILDAWLCYRBD-UHFFFAOYSA-N
MW163.31 g/mol
LogP1.70
Rot. Bonds2

About 1-(dithiolan-3-yl)-N,N-dimethylmethanamine

1-(dithiolan-3-yl)-N,N-dimethylmethanamine (PubChem CID 14442316) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is 1-(dithiolan-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(dithiolan-3-yl)-N,N-dimethylmethanamine
PubChem CID14442316
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name1-(dithiolan-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCSS1
InChIInChI=1S/C6H13NS2/c1-7(2)5-6-3-4-8-9-6/h6H,3-5H2,1-2H3
InChIKeyLZRILDAWLCYRBD-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dithiolan-3-yl)-N,N-dimethylmethanamine 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-(dithiolan-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(dithiolan-3-yl)-N,N-dimethylmethanamine (CID 14442316) is 1-(dithiolan-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(dithiolan-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(dithiolan-3-yl)-N,N-dimethylmethanamine is CN(C)CC1CCSS1.
What is the InChIKey of 1-(dithiolan-3-yl)-N,N-dimethylmethanamine?
The InChIKey is LZRILDAWLCYRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS2/c1-7(2)5-6-3-4-8-9-6/h6H,3-5H2,1-2H3.
What are the key properties of 1-(dithiolan-3-yl)-N,N-dimethylmethanamine?
1-(dithiolan-3-yl)-N,N-dimethylmethanamine has a molecular weight of 163.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dithiolan-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 14442316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).