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

C8H17N3S — CID 18432145

IUPAC(2,2-dimethylpiperidin-1-yl)thiourea
SMILESCC1(C)CCCCN1NC(N)=S
InChIInChI=1S/C8H17N3S/c1-8(2)5-3-4-6-11(8)10-7(9)12/h3-6H2,1-2H3,(H3,9,10,12)
InChIKeyWAWQXFOGDWGPBH-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.00
Rot. Bonds1

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

(2,2-dimethylpiperidin-1-yl)thiourea (PubChem CID 18432145) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is (2,2-dimethylpiperidin-1-yl)thiourea.

Molecular Properties

Compound Name(2,2-dimethylpiperidin-1-yl)thiourea
PubChem CID18432145
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name(2,2-dimethylpiperidin-1-yl)thiourea
SMILESCC1(C)CCCCN1NC(N)=S
InChIInChI=1S/C8H17N3S/c1-8(2)5-3-4-6-11(8)10-7(9)12/h3-6H2,1-2H3,(H3,9,10,12)
InChIKeyWAWQXFOGDWGPBH-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'}

Analyze (2,2-dimethylpiperidin-1-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
1-Butyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)thiourea
CID 22371532
(2-Ethylpiperidin-1-yl)thiourea
CID 88131583
(3,3-Dimethylpiperidin-1-yl)thiourea
CID 141863524
(2,6-Dimethylpiperidin-1-yl)thiourea
CID 83014850
(2,2-Dimethylpiperidin-1-yl)carbamodithioic acid
CID 90386173

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperidin-1-yl)thiourea?
The IUPAC name of (2,2-dimethylpiperidin-1-yl)thiourea (CID 18432145) is (2,2-dimethylpiperidin-1-yl)thiourea.
What is the SMILES notation for (2,2-dimethylpiperidin-1-yl)thiourea?
The canonical SMILES for (2,2-dimethylpiperidin-1-yl)thiourea is CC1(C)CCCCN1NC(N)=S.
What is the InChIKey of (2,2-dimethylpiperidin-1-yl)thiourea?
The InChIKey is WAWQXFOGDWGPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-8(2)5-3-4-6-11(8)10-7(9)12/h3-6H2,1-2H3,(H3,9,10,12).
What are the key properties of (2,2-dimethylpiperidin-1-yl)thiourea?
(2,2-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 (2,2-dimethylpiperidin-1-yl)thiourea is sourced from PubChem (CID 18432145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).