N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide

C14H19NO2S — CID 122208403

IUPACN-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide
SMILESCS(=O)(=NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-18(17,13-10-6-3-7-11-13)15-14(16)12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyCWKJHSSELSSRAT-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.25
Rot. Bonds2

About N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide

N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide (PubChem CID 122208403) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide
PubChem CID122208403
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide
SMILESCS(=O)(=NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-18(17,13-10-6-3-7-11-13)15-14(16)12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyCWKJHSSELSSRAT-UHFFFAOYSA-N
XLogP3.25
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide?
The IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide (CID 122208403) is N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide is CS(=O)(=NC(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide?
The InChIKey is CWKJHSSELSSRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18(17,13-10-6-3-7-11-13)15-14(16)12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide?
N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide has a molecular weight of 265.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide is sourced from PubChem (CID 122208403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).