4-ethyl-N-propylpiperazine-1-carbothioamide

C10H21N3S — CID 3191988

IUPAC4-ethyl-N-propylpiperazine-1-carbothioamide
SMILESCCCNC(=S)N1CCN(CC)CC1
InChIInChI=1S/C10H21N3S/c1-3-5-11-10(14)13-8-6-12(4-2)7-9-13/h3-9H2,1-2H3,(H,11,14)
InChIKeyPZDPHCDKNQFWGQ-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.91
Rot. Bonds3

About 4-ethyl-N-propylpiperazine-1-carbothioamide

4-ethyl-N-propylpiperazine-1-carbothioamide (PubChem CID 3191988) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 4-ethyl-N-propylpiperazine-1-carbothioamide.

Molecular Properties

Compound Name4-ethyl-N-propylpiperazine-1-carbothioamide
PubChem CID3191988
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name4-ethyl-N-propylpiperazine-1-carbothioamide
SMILESCCCNC(=S)N1CCN(CC)CC1
InChIInChI=1S/C10H21N3S/c1-3-5-11-10(14)13-8-6-12(4-2)7-9-13/h3-9H2,1-2H3,(H,11,14)
InChIKeyPZDPHCDKNQFWGQ-UHFFFAOYSA-N
XLogP0.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-ethyl-N-propylpiperazine-1-carbothioamide?
The IUPAC name of 4-ethyl-N-propylpiperazine-1-carbothioamide (CID 3191988) is 4-ethyl-N-propylpiperazine-1-carbothioamide.
What is the SMILES notation for 4-ethyl-N-propylpiperazine-1-carbothioamide?
The canonical SMILES for 4-ethyl-N-propylpiperazine-1-carbothioamide is CCCNC(=S)N1CCN(CC)CC1.
What is the InChIKey of 4-ethyl-N-propylpiperazine-1-carbothioamide?
The InChIKey is PZDPHCDKNQFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-3-5-11-10(14)13-8-6-12(4-2)7-9-13/h3-9H2,1-2H3,(H,11,14).
What are the key properties of 4-ethyl-N-propylpiperazine-1-carbothioamide?
4-ethyl-N-propylpiperazine-1-carbothioamide has a molecular weight of 215.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propylpiperazine-1-carbothioamide is sourced from PubChem (CID 3191988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).