2-aminoethyl N-methylcarbamodithioate

C4H10N2S2 — CID 54198635

IUPAC2-aminoethyl N-methylcarbamodithioate
SMILESCNC(=S)SCCN
InChIInChI=1S/C4H10N2S2/c1-6-4(7)8-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyPNQHIJYSCAAJSD-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.18
Rot. Bonds2

About 2-aminoethyl N-methylcarbamodithioate

2-aminoethyl N-methylcarbamodithioate (PubChem CID 54198635) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-aminoethyl N-methylcarbamodithioate.

Molecular Properties

Compound Name2-aminoethyl N-methylcarbamodithioate
PubChem CID54198635
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name2-aminoethyl N-methylcarbamodithioate
SMILESCNC(=S)SCCN
InChIInChI=1S/C4H10N2S2/c1-6-4(7)8-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyPNQHIJYSCAAJSD-UHFFFAOYSA-N
XLogP0.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminoethyl N-methylcarbamodithioate 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 2-aminoethyl N-methylcarbamodithioate?
The IUPAC name of 2-aminoethyl N-methylcarbamodithioate (CID 54198635) is 2-aminoethyl N-methylcarbamodithioate.
What is the SMILES notation for 2-aminoethyl N-methylcarbamodithioate?
The canonical SMILES for 2-aminoethyl N-methylcarbamodithioate is CNC(=S)SCCN.
What is the InChIKey of 2-aminoethyl N-methylcarbamodithioate?
The InChIKey is PNQHIJYSCAAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-6-4(7)8-3-2-5/h2-3,5H2,1H3,(H,6,7).
What are the key properties of 2-aminoethyl N-methylcarbamodithioate?
2-aminoethyl N-methylcarbamodithioate has a molecular weight of 150.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-methylcarbamodithioate is sourced from PubChem (CID 54198635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).