1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea

C11H21N3S — CID 16553947

IUPAC1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea
SMILESCC1CCCC(C)N1NC(=S)NC1CC1
InChIInChI=1S/C11H21N3S/c1-8-4-3-5-9(2)14(8)13-11(15)12-10-6-7-10/h8-10H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyNZHCSTAFMNHJKM-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.79
Rot. Bonds2

About 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea

1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea (PubChem CID 16553947) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea
PubChem CID16553947
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea
SMILESCC1CCCC(C)N1NC(=S)NC1CC1
InChIInChI=1S/C11H21N3S/c1-8-4-3-5-9(2)14(8)13-11(15)12-10-6-7-10/h8-10H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyNZHCSTAFMNHJKM-UHFFFAOYSA-N
XLogP1.79
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.79
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-(2,6-dimethylpiperidin-1-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea (CID 16553947) is 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea is CC1CCCC(C)N1NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea?
The InChIKey is NZHCSTAFMNHJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8-4-3-5-9(2)14(8)13-11(15)12-10-6-7-10/h8-10H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea?
1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea has a molecular weight of 227.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea is sourced from PubChem (CID 16553947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).