1-methyl-3-(1-methylpiperidin-3-yl)thiourea

C8H17N3S — CID 115590131

IUPAC1-methyl-3-(1-methylpiperidin-3-yl)thiourea
SMILESCNC(=S)NC1CCCN(C)C1
InChIInChI=1S/C8H17N3S/c1-9-8(12)10-7-4-3-5-11(2)6-7/h7H,3-6H2,1-2H3,(H2,9,10,12)
InChIKeyVZAFPAAMWWYTNN-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.17
Rot. Bonds1

About 1-methyl-3-(1-methylpiperidin-3-yl)thiourea

1-methyl-3-(1-methylpiperidin-3-yl)thiourea (PubChem CID 115590131) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpiperidin-3-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(1-methylpiperidin-3-yl)thiourea
PubChem CID115590131
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-methyl-3-(1-methylpiperidin-3-yl)thiourea
SMILESCNC(=S)NC1CCCN(C)C1
InChIInChI=1S/C8H17N3S/c1-9-8(12)10-7-4-3-5-11(2)6-7/h7H,3-6H2,1-2H3,(H2,9,10,12)
InChIKeyVZAFPAAMWWYTNN-UHFFFAOYSA-N
XLogP0.17
TPSA27.30 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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(1-methylpiperidin-3-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-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
CID 115590134
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
(Z)-2,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobut-2-enoic acid
CID 55169838
1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 115662349
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpiperidin-3-yl)thiourea?
The IUPAC name of 1-methyl-3-(1-methylpiperidin-3-yl)thiourea (CID 115590131) is 1-methyl-3-(1-methylpiperidin-3-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(1-methylpiperidin-3-yl)thiourea?
The canonical SMILES for 1-methyl-3-(1-methylpiperidin-3-yl)thiourea is CNC(=S)NC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-(1-methylpiperidin-3-yl)thiourea?
The InChIKey is VZAFPAAMWWYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-9-8(12)10-7-4-3-5-11(2)6-7/h7H,3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-methyl-3-(1-methylpiperidin-3-yl)thiourea?
1-methyl-3-(1-methylpiperidin-3-yl)thiourea has a molecular weight of 187.31 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpiperidin-3-yl)thiourea is sourced from PubChem (CID 115590131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).