[3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate

C10H18N2OS2 — CID 7342264

IUPAC[3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate
SMILESCCNC(=O)CCSC(=S)N1CCCC1
InChIInChI=1S/C10H18N2OS2/c1-2-11-9(13)5-8-15-10(14)12-6-3-4-7-12/h2-8H2,1H3,(H,11,13)
InChIKeyKMFSUNMQXUNEKX-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.63
Rot. Bonds4

About [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate

[3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate (PubChem CID 7342264) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate
PubChem CID7342264
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name[3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate
SMILESCCNC(=O)CCSC(=S)N1CCCC1
InChIInChI=1S/C10H18N2OS2/c1-2-11-9(13)5-8-15-10(14)12-6-3-4-7-12/h2-8H2,1H3,(H,11,13)
InChIKeyKMFSUNMQXUNEKX-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate?
The IUPAC name of [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate (CID 7342264) is [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate.
What is the SMILES notation for [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate?
The canonical SMILES for [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate is CCNC(=O)CCSC(=S)N1CCCC1.
What is the InChIKey of [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate?
The InChIKey is KMFSUNMQXUNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-2-11-9(13)5-8-15-10(14)12-6-3-4-7-12/h2-8H2,1H3,(H,11,13).
What are the key properties of [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate?
[3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate has a molecular weight of 246.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-3-oxopropyl] pyrrolidine-1-carbodithioate is sourced from PubChem (CID 7342264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).