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

C8H17N3S — CID 83014850

IUPAC(2,6-dimethylpiperidin-1-yl)thiourea
SMILESCC1CCCC(C)N1NC(N)=S
InChIInChI=1S/C8H17N3S/c1-6-4-3-5-7(2)11(6)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeySDYNYFAPXWZUEI-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.00
Rot. Bonds1

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

(2,6-dimethylpiperidin-1-yl)thiourea (PubChem CID 83014850) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)thiourea.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)thiourea
PubChem CID83014850
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name(2,6-dimethylpiperidin-1-yl)thiourea
SMILESCC1CCCC(C)N1NC(N)=S
InChIInChI=1S/C8H17N3S/c1-6-4-3-5-7(2)11(6)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeySDYNYFAPXWZUEI-UHFFFAOYSA-N
XLogP1.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.00
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 (2,6-dimethylpiperidin-1-yl)thiourea?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)thiourea (CID 83014850) is (2,6-dimethylpiperidin-1-yl)thiourea.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)thiourea?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)thiourea is CC1CCCC(C)N1NC(N)=S.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)thiourea?
The InChIKey is SDYNYFAPXWZUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-6-4-3-5-7(2)11(6)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12).
What are the key properties of (2,6-dimethylpiperidin-1-yl)thiourea?
(2,6-dimethylpiperidin-1-yl)thiourea has a molecular weight of 187.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)thiourea is sourced from PubChem (CID 83014850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).