methyl 2-(propylamino)cyclopentene-1-carbodithioate

C10H17NS2 — CID 71428996

IUPACmethyl 2-(propylamino)cyclopentene-1-carbodithioate
SMILESCCCNC1=C(C(=S)SC)CCC1
InChIInChI=1S/C10H17NS2/c1-3-7-11-9-6-4-5-8(9)10(12)13-2/h11H,3-7H2,1-2H3
InChIKeyOYZPTBSZBWVAPH-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.11
Rot. Bonds4

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

methyl 2-(propylamino)cyclopentene-1-carbodithioate (PubChem CID 71428996) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is methyl 2-(propylamino)cyclopentene-1-carbodithioate.

Molecular Properties

Compound Namemethyl 2-(propylamino)cyclopentene-1-carbodithioate
PubChem CID71428996
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-(propylamino)cyclopentene-1-carbodithioate
SMILESCCCNC1=C(C(=S)SC)CCC1
InChIInChI=1S/C10H17NS2/c1-3-7-11-9-6-4-5-8(9)10(12)13-2/h11H,3-7H2,1-2H3
InChIKeyOYZPTBSZBWVAPH-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.11
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 methyl 2-(propylamino)cyclopentene-1-carbodithioate?
The IUPAC name of methyl 2-(propylamino)cyclopentene-1-carbodithioate (CID 71428996) is methyl 2-(propylamino)cyclopentene-1-carbodithioate.
What is the SMILES notation for methyl 2-(propylamino)cyclopentene-1-carbodithioate?
The canonical SMILES for methyl 2-(propylamino)cyclopentene-1-carbodithioate is CCCNC1=C(C(=S)SC)CCC1.
What is the InChIKey of methyl 2-(propylamino)cyclopentene-1-carbodithioate?
The InChIKey is OYZPTBSZBWVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-3-7-11-9-6-4-5-8(9)10(12)13-2/h11H,3-7H2,1-2H3.
What are the key properties of methyl 2-(propylamino)cyclopentene-1-carbodithioate?
methyl 2-(propylamino)cyclopentene-1-carbodithioate has a molecular weight of 215.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylamino)cyclopentene-1-carbodithioate is sourced from PubChem (CID 71428996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).