3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione

C11H18N2S2 — CID 139376709

IUPAC3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(N(C)CCCN(C)C)c(=S)c1=S
InChIInChI=1S/C11H18N2S2/c1-8-9(11(15)10(8)14)13(4)7-5-6-12(2)3/h5-7H2,1-4H3
InChIKeyUJSVGHKNQGAVJR-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.72
Rot. Bonds5

About 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione

3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 139376709) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID139376709
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(N(C)CCCN(C)C)c(=S)c1=S
InChIInChI=1S/C11H18N2S2/c1-8-9(11(15)10(8)14)13(4)7-5-6-12(2)3/h5-7H2,1-4H3
InChIKeyUJSVGHKNQGAVJR-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
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-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 139376709) is 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is Cc1c(N(C)CCCN(C)C)c(=S)c1=S.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is UJSVGHKNQGAVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-9(11(15)10(8)14)13(4)7-5-6-12(2)3/h5-7H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 242.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).