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

C10H22ClN3S — CID 2872178

IUPAC1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride
SMILESCCNC(=S)NCCN1CCCCC1.Cl
InChIInChI=1S/C10H21N3S.ClH/c1-2-11-10(14)12-6-9-13-7-4-3-5-8-13;/h2-9H2,1H3,(H2,11,12,14);1H
InChIKeyVUDGGBOPXZFRKI-UHFFFAOYSA-N
MW251.83 g/mol
LogP1.38
Rot. Bonds4

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

1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride (PubChem CID 2872178) has the molecular formula C10H22ClN3S and a molecular weight of 251.83 g/mol. Its IUPAC name is 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride
PubChem CID2872178
Molecular FormulaC10H22ClN3S
Molecular Weight251.83 g/mol
Exact Mass251.12
IUPAC Name1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride
SMILESCCNC(=S)NCCN1CCCCC1.Cl
InChIInChI=1S/C10H21N3S.ClH/c1-2-11-10(14)12-6-9-13-7-4-3-5-8-13;/h2-9H2,1H3,(H2,11,12,14);1H
InChIKeyVUDGGBOPXZFRKI-UHFFFAOYSA-N
XLogP1.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.83
LogP ≤ 51.38
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;hydrochloride?
The IUPAC name of 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride (CID 2872178) is 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride.
What is the SMILES notation for 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride?
The canonical SMILES for 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride is CCNC(=S)NCCN1CCCCC1.Cl.
What is the InChIKey of 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride?
The InChIKey is VUDGGBOPXZFRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S.ClH/c1-2-11-10(14)12-6-9-13-7-4-3-5-8-13;/h2-9H2,1H3,(H2,11,12,14);1H.
What are the key properties of 1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride?
1-ethyl-3-(2-piperidin-1-ylethyl)thiourea;hydrochloride has a molecular weight of 251.83 g/mol, XLogP of 1.38, 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;hydrochloride is sourced from PubChem (CID 2872178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).