1-ethyl-3-(2-piperidin-1-ylethyl)thiourea

C10H21N3S — CID 876085

IUPAC1-ethyl-3-(2-piperidin-1-ylethyl)thiourea
SMILESCCNC(=S)NCCN1CCCCC1
InChIInChI=1S/C10H21N3S/c1-2-11-10(14)12-6-9-13-7-4-3-5-8-13/h2-9H2,1H3,(H2,11,12,14)
InChIKeyFYDKFEKMPBTIQV-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.96
Rot. Bonds4

About 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea

1-ethyl-3-(2-piperidin-1-ylethyl)thiourea (PubChem CID 876085) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-piperidin-1-ylethyl)thiourea
PubChem CID876085
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-ethyl-3-(2-piperidin-1-ylethyl)thiourea
SMILESCCNC(=S)NCCN1CCCCC1
InChIInChI=1S/C10H21N3S/c1-2-11-10(14)12-6-9-13-7-4-3-5-8-13/h2-9H2,1H3,(H2,11,12,14)
InChIKeyFYDKFEKMPBTIQV-UHFFFAOYSA-N
XLogP0.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.96
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-ethyl-3-(2-piperidin-1-ylethyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea (CID 876085) is 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea is CCNC(=S)NCCN1CCCCC1.
What is the InChIKey of 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea?
The InChIKey is FYDKFEKMPBTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-2-11-10(14)12-6-9-13-7-4-3-5-8-13/h2-9H2,1H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea?
1-ethyl-3-(2-piperidin-1-ylethyl)thiourea has a molecular weight of 215.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea is sourced from PubChem (CID 876085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).