methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate

C9H16N2S2 — CID 15773377

IUPACmethyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate
SMILESCSC(=S)C1=C(NCCN)CCC1
InChIInChI=1S/C9H16N2S2/c1-13-9(12)7-3-2-4-8(7)11-6-5-10/h11H,2-6,10H2,1H3
InChIKeyIUKKWZMCBARQEX-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.66
Rot. Bonds4

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

methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate (PubChem CID 15773377) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate
PubChem CID15773377
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Namemethyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate
SMILESCSC(=S)C1=C(NCCN)CCC1
InChIInChI=1S/C9H16N2S2/c1-13-9(12)7-3-2-4-8(7)11-6-5-10/h11H,2-6,10H2,1H3
InChIKeyIUKKWZMCBARQEX-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
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 methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate?
The IUPAC name of methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate (CID 15773377) is methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate.
What is the SMILES notation for methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate?
The canonical SMILES for methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate is CSC(=S)C1=C(NCCN)CCC1.
What is the InChIKey of methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate?
The InChIKey is IUKKWZMCBARQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-13-9(12)7-3-2-4-8(7)11-6-5-10/h11H,2-6,10H2,1H3.
What are the key properties of methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate?
methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate has a molecular weight of 216.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethylamino)cyclopentene-1-carbodithioate is sourced from PubChem (CID 15773377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).