3-N,4-N-dimethylthiolane-3,4-diamine

C6H14N2S — CID 170597247

IUPAC3-N,4-N-dimethylthiolane-3,4-diamine
SMILESCNC1CSCC1NC
InChIInChI=1S/C6H14N2S/c1-7-5-3-9-4-6(5)8-2/h5-8H,3-4H2,1-2H3
InChIKeyQMJOASXLFASOOP-UHFFFAOYSA-N
MW146.26 g/mol
LogP-0.09
Rot. Bonds2

About 3-N,4-N-dimethylthiolane-3,4-diamine

3-N,4-N-dimethylthiolane-3,4-diamine (PubChem CID 170597247) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 3-N,4-N-dimethylthiolane-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-dimethylthiolane-3,4-diamine
PubChem CID170597247
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name3-N,4-N-dimethylthiolane-3,4-diamine
SMILESCNC1CSCC1NC
InChIInChI=1S/C6H14N2S/c1-7-5-3-9-4-6(5)8-2/h5-8H,3-4H2,1-2H3
InChIKeyQMJOASXLFASOOP-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dimethylthiolane-3,4-diamine?
The IUPAC name of 3-N,4-N-dimethylthiolane-3,4-diamine (CID 170597247) is 3-N,4-N-dimethylthiolane-3,4-diamine.
What is the SMILES notation for 3-N,4-N-dimethylthiolane-3,4-diamine?
The canonical SMILES for 3-N,4-N-dimethylthiolane-3,4-diamine is CNC1CSCC1NC.
What is the InChIKey of 3-N,4-N-dimethylthiolane-3,4-diamine?
The InChIKey is QMJOASXLFASOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-7-5-3-9-4-6(5)8-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-N,4-N-dimethylthiolane-3,4-diamine?
3-N,4-N-dimethylthiolane-3,4-diamine has a molecular weight of 146.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethylthiolane-3,4-diamine is sourced from PubChem (CID 170597247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).