N-(benzylcarbamothioyl)cyclohexanecarboxamide

C15H20N2OS — CID 886471

IUPACN-(benzylcarbamothioyl)cyclohexanecarboxamide
SMILESO=C(NC(=S)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,16,17,18,19)
InChIKeyZETOHPOYUARVAD-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.76
Rot. Bonds3

About N-(benzylcarbamothioyl)cyclohexanecarboxamide

N-(benzylcarbamothioyl)cyclohexanecarboxamide (PubChem CID 886471) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)cyclohexanecarboxamide
PubChem CID886471
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(benzylcarbamothioyl)cyclohexanecarboxamide
SMILESO=C(NC(=S)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,16,17,18,19)
InChIKeyZETOHPOYUARVAD-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-(benzylcarbamothioyl)cyclohexanecarboxamide?
The IUPAC name of N-(benzylcarbamothioyl)cyclohexanecarboxamide (CID 886471) is N-(benzylcarbamothioyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(benzylcarbamothioyl)cyclohexanecarboxamide?
The canonical SMILES for N-(benzylcarbamothioyl)cyclohexanecarboxamide is O=C(NC(=S)NCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(benzylcarbamothioyl)cyclohexanecarboxamide?
The InChIKey is ZETOHPOYUARVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,16,17,18,19).
What are the key properties of N-(benzylcarbamothioyl)cyclohexanecarboxamide?
N-(benzylcarbamothioyl)cyclohexanecarboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)cyclohexanecarboxamide is sourced from PubChem (CID 886471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).