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

C9H14N2S2 — CID 139376704

IUPAC3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione
SMILESCNCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C9H14N2S2/c1-6-7(9(13)8(6)12)11(3)5-4-10-2/h10H,4-5H2,1-3H3
InChIKeyLSQWLKXNQNBSJH-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.99
Rot. Bonds4

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

3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione (PubChem CID 139376704) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione
PubChem CID139376704
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione
SMILESCNCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C9H14N2S2/c1-6-7(9(13)8(6)12)11(3)5-4-10-2/h10H,4-5H2,1-3H3
InChIKeyLSQWLKXNQNBSJH-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione (CID 139376704) is 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione is CNCCN(C)c1c(C)c(=S)c1=S.
What is the InChIKey of 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione?
The InChIKey is LSQWLKXNQNBSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-6-7(9(13)8(6)12)11(3)5-4-10-2/h10H,4-5H2,1-3H3.
What are the key properties of 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione?
3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 214.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).