N-(4-methylpiperidine-1-carbothioyl)benzamide

C14H18N2OS — CID 805897

IUPACN-(4-methylpiperidine-1-carbothioyl)benzamide
SMILESCC1CCN(C(=S)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2OS/c1-11-7-9-16(10-8-11)14(18)15-13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17,18)
InChIKeyJSIRBFHDCFHBPL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.43
Rot. Bonds1

About N-(4-methylpiperidine-1-carbothioyl)benzamide

N-(4-methylpiperidine-1-carbothioyl)benzamide (PubChem CID 805897) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(4-methylpiperidine-1-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(4-methylpiperidine-1-carbothioyl)benzamide
PubChem CID805897
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(4-methylpiperidine-1-carbothioyl)benzamide
SMILESCC1CCN(C(=S)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2OS/c1-11-7-9-16(10-8-11)14(18)15-13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17,18)
InChIKeyJSIRBFHDCFHBPL-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidine-1-carbothioyl)benzamide?
The IUPAC name of N-(4-methylpiperidine-1-carbothioyl)benzamide (CID 805897) is N-(4-methylpiperidine-1-carbothioyl)benzamide.
What is the SMILES notation for N-(4-methylpiperidine-1-carbothioyl)benzamide?
The canonical SMILES for N-(4-methylpiperidine-1-carbothioyl)benzamide is CC1CCN(C(=S)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(4-methylpiperidine-1-carbothioyl)benzamide?
The InChIKey is JSIRBFHDCFHBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-7-9-16(10-8-11)14(18)15-13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17,18).
What are the key properties of N-(4-methylpiperidine-1-carbothioyl)benzamide?
N-(4-methylpiperidine-1-carbothioyl)benzamide has a molecular weight of 262.38 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidine-1-carbothioyl)benzamide is sourced from PubChem (CID 805897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).