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

C8H18N4S — CID 2760462

IUPAC1-amino-3-(2-piperidin-1-ylethyl)thiourea
SMILESNNC(=S)NCCN1CCCCC1
InChIInChI=1S/C8H18N4S/c9-11-8(13)10-4-7-12-5-2-1-3-6-12/h1-7,9H2,(H2,10,11,13)
InChIKeyZGBPPUPQXGCBLN-UHFFFAOYSA-N
MW202.33 g/mol
LogP-0.19
Rot. Bonds3

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

1-amino-3-(2-piperidin-1-ylethyl)thiourea (PubChem CID 2760462) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is 1-amino-3-(2-piperidin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-piperidin-1-ylethyl)thiourea
PubChem CID2760462
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC Name1-amino-3-(2-piperidin-1-ylethyl)thiourea
SMILESNNC(=S)NCCN1CCCCC1
InChIInChI=1S/C8H18N4S/c9-11-8(13)10-4-7-12-5-2-1-3-6-12/h1-7,9H2,(H2,10,11,13)
InChIKeyZGBPPUPQXGCBLN-UHFFFAOYSA-N
XLogP-0.19
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-piperidin-1-ylethyl)thiourea?
The IUPAC name of 1-amino-3-(2-piperidin-1-ylethyl)thiourea (CID 2760462) is 1-amino-3-(2-piperidin-1-ylethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-piperidin-1-ylethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-piperidin-1-ylethyl)thiourea is NNC(=S)NCCN1CCCCC1.
What is the InChIKey of 1-amino-3-(2-piperidin-1-ylethyl)thiourea?
The InChIKey is ZGBPPUPQXGCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c9-11-8(13)10-4-7-12-5-2-1-3-6-12/h1-7,9H2,(H2,10,11,13).
What are the key properties of 1-amino-3-(2-piperidin-1-ylethyl)thiourea?
1-amino-3-(2-piperidin-1-ylethyl)thiourea has a molecular weight of 202.33 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-piperidin-1-ylethyl)thiourea is sourced from PubChem (CID 2760462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).