4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide

C10H21N3S — CID 859056

IUPAC4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCN(C)CC1
InChIInChI=1S/C10H21N3S/c1-9(2)8-11-10(14)13-6-4-12(3)5-7-13/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyFNCSTRUZZIWWFI-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.76
Rot. Bonds2

About 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide

4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide (PubChem CID 859056) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide
PubChem CID859056
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCN(C)CC1
InChIInChI=1S/C10H21N3S/c1-9(2)8-11-10(14)13-6-4-12(3)5-7-13/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyFNCSTRUZZIWWFI-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide (CID 859056) is 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide is CC(C)CNC(=S)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide?
The InChIKey is FNCSTRUZZIWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-9(2)8-11-10(14)13-6-4-12(3)5-7-13/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide?
4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide has a molecular weight of 215.37 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)piperazine-1-carbothioamide is sourced from PubChem (CID 859056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).