1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea

C9H19N3S — CID 2917956

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea
SMILESCNC(=S)NN1C(C)CCCC1C
InChIInChI=1S/C9H19N3S/c1-7-5-4-6-8(2)12(7)11-9(13)10-3/h7-8H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyWASVHXYQOMLPKR-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.26
Rot. Bonds1

About 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea

1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea (PubChem CID 2917956) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea
PubChem CID2917956
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea
SMILESCNC(=S)NN1C(C)CCCC1C
InChIInChI=1S/C9H19N3S/c1-7-5-4-6-8(2)12(7)11-9(13)10-3/h7-8H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyWASVHXYQOMLPKR-UHFFFAOYSA-N
XLogP1.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-(2,6-dimethyl-1-piperidinyl)thiourea
CID 2919195
[(Diethylamino)amino](cyclohexylamino)methane-1-thione
CID 674715
1-Cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)thiourea
CID 16553947
1-Butyl-3-(2-methylpiperidin-1-yl)thiourea
CID 18780552
1-[2-(Cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea
CID 21433101
1-Butyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)thiourea
CID 22371532
1-Amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43118346
(2-Ethylpiperidin-1-yl)thiourea
CID 88131583
1-(Dicyclohexylamino)-3-methylthiourea
CID 141692701
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylthiourea
CID 799647
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-methylthiourea
CID 799648
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-methylthiourea
CID 799649

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea (CID 2917956) is 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea is CNC(=S)NN1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea?
The InChIKey is WASVHXYQOMLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7-5-4-6-8(2)12(7)11-9(13)10-3/h7-8H,4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea?
1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea has a molecular weight of 201.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-methylthiourea is sourced from PubChem (CID 2917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).