N-cyclohexyl-4-methylpiperidine-1-carbothioamide

C13H24N2S — CID 724235

IUPACN-cyclohexyl-4-methylpiperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NC2CCCCC2)CC1
InChIInChI=1S/C13H24N2S/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeySWYIOQHIHRRJOV-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.93
Rot. Bonds1

About N-cyclohexyl-4-methylpiperidine-1-carbothioamide

N-cyclohexyl-4-methylpiperidine-1-carbothioamide (PubChem CID 724235) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-cyclohexyl-4-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylpiperidine-1-carbothioamide
PubChem CID724235
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-cyclohexyl-4-methylpiperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NC2CCCCC2)CC1
InChIInChI=1S/C13H24N2S/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeySWYIOQHIHRRJOV-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-methylpiperidine-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 N-cyclohexyl-4-methylpiperidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-4-methylpiperidine-1-carbothioamide (CID 724235) is N-cyclohexyl-4-methylpiperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-methylpiperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-methylpiperidine-1-carbothioamide is CC1CCN(C(=S)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-methylpiperidine-1-carbothioamide?
The InChIKey is SWYIOQHIHRRJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-4-methylpiperidine-1-carbothioamide?
N-cyclohexyl-4-methylpiperidine-1-carbothioamide has a molecular weight of 240.42 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 724235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).