N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine

C6H13NOS2 — CID 14442322

IUPACN,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine
SMILESCN(C)CC1CCSS1=O
InChIInChI=1S/C6H13NOS2/c1-7(2)5-6-3-4-9-10(6)8/h6H,3-5H2,1-2H3
InChIKeyDBJYZFLVCQFJMN-UHFFFAOYSA-N
MW179.31 g/mol
LogP0.72
Rot. Bonds2

About N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine

N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine (PubChem CID 14442322) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine
PubChem CID14442322
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC NameN,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine
SMILESCN(C)CC1CCSS1=O
InChIInChI=1S/C6H13NOS2/c1-7(2)5-6-3-4-9-10(6)8/h6H,3-5H2,1-2H3
InChIKeyDBJYZFLVCQFJMN-UHFFFAOYSA-N
XLogP0.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine 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,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine (CID 14442322) is N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine is CN(C)CC1CCSS1=O.
What is the InChIKey of N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine?
The InChIKey is DBJYZFLVCQFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c1-7(2)5-6-3-4-9-10(6)8/h6H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine?
N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine has a molecular weight of 179.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine is sourced from PubChem (CID 14442322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).