3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione

C11H18N2OS2 — CID 139376810

IUPAC3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
SMILESCNCCOCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C11H18N2OS2/c1-8-9(11(16)10(8)15)13(3)5-7-14-6-4-12-2/h12H,4-7H2,1-3H3
InChIKeyUSNRFKZHAKRHBZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.00
Rot. Bonds7

About 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione

3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione (PubChem CID 139376810) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
PubChem CID139376810
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione
SMILESCNCCOCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C11H18N2OS2/c1-8-9(11(16)10(8)15)13(3)5-7-14-6-4-12-2/h12H,4-7H2,1-3H3
InChIKeyUSNRFKZHAKRHBZ-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione (CID 139376810) is 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione is CNCCOCCN(C)c1c(C)c(=S)c1=S.
What is the InChIKey of 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
The InChIKey is USNRFKZHAKRHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-8-9(11(16)10(8)15)13(3)5-7-14-6-4-12-2/h12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione?
3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 258.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).