1-(2-piperidin-1-ylethyl)-3-propylthiourea

C11H23N3S — CID 3192036

IUPAC1-(2-piperidin-1-ylethyl)-3-propylthiourea
SMILESCCCNC(=S)NCCN1CCCCC1
InChIInChI=1S/C11H23N3S/c1-2-6-12-11(15)13-7-10-14-8-4-3-5-9-14/h2-10H2,1H3,(H2,12,13,15)
InChIKeyZRZAWAMAKUPHPI-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-piperidin-1-ylethyl)-3-propylthiourea

1-(2-piperidin-1-ylethyl)-3-propylthiourea (PubChem CID 3192036) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-propylthiourea
PubChem CID3192036
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-(2-piperidin-1-ylethyl)-3-propylthiourea
SMILESCCCNC(=S)NCCN1CCCCC1
InChIInChI=1S/C11H23N3S/c1-2-6-12-11(15)13-7-10-14-8-4-3-5-9-14/h2-10H2,1H3,(H2,12,13,15)
InChIKeyZRZAWAMAKUPHPI-UHFFFAOYSA-N
XLogP1.35
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
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 1-(2-piperidin-1-ylethyl)-3-propylthiourea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-propylthiourea (CID 3192036) is 1-(2-piperidin-1-ylethyl)-3-propylthiourea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-propylthiourea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-propylthiourea is CCCNC(=S)NCCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-propylthiourea?
The InChIKey is ZRZAWAMAKUPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-2-6-12-11(15)13-7-10-14-8-4-3-5-9-14/h2-10H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-propylthiourea?
1-(2-piperidin-1-ylethyl)-3-propylthiourea has a molecular weight of 229.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-propylthiourea is sourced from PubChem (CID 3192036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).