2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide

C9H19N3S2 — CID 3032956

IUPAC2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide
SMILESCNC(=S)C(CCN(C)C)C(=S)NC
InChIInChI=1S/C9H19N3S2/c1-10-8(13)7(9(14)11-2)5-6-12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14)
InChIKeyRXLSOFRQNQORDN-UHFFFAOYSA-N
MW233.41 g/mol
LogP0.65
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide

2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide (PubChem CID 3032956) has the molecular formula C9H19N3S2 and a molecular weight of 233.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide
PubChem CID3032956
Molecular FormulaC9H19N3S2
Molecular Weight233.41 g/mol
Exact Mass233.10
IUPAC Name2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide
SMILESCNC(=S)C(CCN(C)C)C(=S)NC
InChIInChI=1S/C9H19N3S2/c1-10-8(13)7(9(14)11-2)5-6-12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14)
InChIKeyRXLSOFRQNQORDN-UHFFFAOYSA-N
XLogP0.65
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide (CID 3032956) is 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide is CNC(=S)C(CCN(C)C)C(=S)NC.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide?
The InChIKey is RXLSOFRQNQORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S2/c1-10-8(13)7(9(14)11-2)5-6-12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide?
2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide has a molecular weight of 233.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide is sourced from PubChem (CID 3032956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).