1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea

C10H19N3S — CID 970803

IUPAC1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea
SMILESCN1CCC(NC(=S)NC2CC2)CC1
InChIInChI=1S/C10H19N3S/c1-13-6-4-9(5-7-13)12-10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H2,11,12,14)
InChIKeyNYLANTKPQZAWOM-UHFFFAOYSA-N
MW213.35 g/mol
LogP0.71
Rot. Bonds2

About 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea

1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea (PubChem CID 970803) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea
PubChem CID970803
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea
SMILESCN1CCC(NC(=S)NC2CC2)CC1
InChIInChI=1S/C10H19N3S/c1-13-6-4-9(5-7-13)12-10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H2,11,12,14)
InChIKeyNYLANTKPQZAWOM-UHFFFAOYSA-N
XLogP0.71
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 50.71
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-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea (CID 970803) is 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea is CN1CCC(NC(=S)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea?
The InChIKey is NYLANTKPQZAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-13-6-4-9(5-7-13)12-10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea?
1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea has a molecular weight of 213.35 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea is sourced from PubChem (CID 970803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).