S-(4-methoxyphenyl) N-cyclohexylcarbamothioate

C14H19NO2S — CID 22765027

IUPACS-(4-methoxyphenyl) N-cyclohexylcarbamothioate
SMILESCOc1ccc(SC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-17-12-7-9-13(10-8-12)18-14(16)15-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,15,16)
InChIKeyYUUSRBHTCKBSSJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.83
Rot. Bonds3

About S-(4-methoxyphenyl) N-cyclohexylcarbamothioate

S-(4-methoxyphenyl) N-cyclohexylcarbamothioate (PubChem CID 22765027) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is S-(4-methoxyphenyl) N-cyclohexylcarbamothioate.

Molecular Properties

Compound NameS-(4-methoxyphenyl) N-cyclohexylcarbamothioate
PubChem CID22765027
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameS-(4-methoxyphenyl) N-cyclohexylcarbamothioate
SMILESCOc1ccc(SC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-17-12-7-9-13(10-8-12)18-14(16)15-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,15,16)
InChIKeyYUUSRBHTCKBSSJ-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(4-methoxyphenyl) N-cyclohexylcarbamothioate?
The IUPAC name of S-(4-methoxyphenyl) N-cyclohexylcarbamothioate (CID 22765027) is S-(4-methoxyphenyl) N-cyclohexylcarbamothioate.
What is the SMILES notation for S-(4-methoxyphenyl) N-cyclohexylcarbamothioate?
The canonical SMILES for S-(4-methoxyphenyl) N-cyclohexylcarbamothioate is COc1ccc(SC(=O)NC2CCCCC2)cc1.
What is the InChIKey of S-(4-methoxyphenyl) N-cyclohexylcarbamothioate?
The InChIKey is YUUSRBHTCKBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-12-7-9-13(10-8-12)18-14(16)15-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,15,16).
What are the key properties of S-(4-methoxyphenyl) N-cyclohexylcarbamothioate?
S-(4-methoxyphenyl) N-cyclohexylcarbamothioate has a molecular weight of 265.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-methoxyphenyl) N-cyclohexylcarbamothioate is sourced from PubChem (CID 22765027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).