N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide

C14H17FN2OS — CID 886080

IUPACN-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C14H17FN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,17,18,19)
InChIKeyWUBOHJJGVDNDMA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.22
Rot. Bonds2

About N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide

N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 886080) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID886080
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C14H17FN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,17,18,19)
InChIKeyWUBOHJJGVDNDMA-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.22
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-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide (CID 886080) is N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide is O=C(NC(=S)Nc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is WUBOHJJGVDNDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,17,18,19).
What are the key properties of N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 886080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).