methyl 2-(methylamino)cyclopentene-1-carbodithioate

C8H13NS2 — CID 71361039

IUPACmethyl 2-(methylamino)cyclopentene-1-carbodithioate
SMILESCNC1=C(C(=S)SC)CCC1
InChIInChI=1S/C8H13NS2/c1-9-7-5-3-4-6(7)8(10)11-2/h9H,3-5H2,1-2H3
InChIKeyBOAFWZNBYCGWDE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.33
Rot. Bonds2

About methyl 2-(methylamino)cyclopentene-1-carbodithioate

methyl 2-(methylamino)cyclopentene-1-carbodithioate (PubChem CID 71361039) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is methyl 2-(methylamino)cyclopentene-1-carbodithioate.

Molecular Properties

Compound Namemethyl 2-(methylamino)cyclopentene-1-carbodithioate
PubChem CID71361039
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Namemethyl 2-(methylamino)cyclopentene-1-carbodithioate
SMILESCNC1=C(C(=S)SC)CCC1
InChIInChI=1S/C8H13NS2/c1-9-7-5-3-4-6(7)8(10)11-2/h9H,3-5H2,1-2H3
InChIKeyBOAFWZNBYCGWDE-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(methylamino)cyclopentene-1-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)cyclopentene-1-carbodithioate?
The IUPAC name of methyl 2-(methylamino)cyclopentene-1-carbodithioate (CID 71361039) is methyl 2-(methylamino)cyclopentene-1-carbodithioate.
What is the SMILES notation for methyl 2-(methylamino)cyclopentene-1-carbodithioate?
The canonical SMILES for methyl 2-(methylamino)cyclopentene-1-carbodithioate is CNC1=C(C(=S)SC)CCC1.
What is the InChIKey of methyl 2-(methylamino)cyclopentene-1-carbodithioate?
The InChIKey is BOAFWZNBYCGWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-9-7-5-3-4-6(7)8(10)11-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl 2-(methylamino)cyclopentene-1-carbodithioate?
methyl 2-(methylamino)cyclopentene-1-carbodithioate has a molecular weight of 187.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)cyclopentene-1-carbodithioate is sourced from PubChem (CID 71361039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).