5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide

C20H35NO4S — CID 56985983

IUPAC5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide
SMILESCC(CCCC(=O)NO)SCC1C2CCC(O2)C1COC1CCCCC1
InChIInChI=1S/C20H35NO4S/c1-14(6-5-9-20(22)21-23)26-13-17-16(18-10-11-19(17)25-18)12-24-15-7-3-2-4-8-15/h14-19,23H,2-13H2,1H3,(H,21,22)
InChIKeyPDTWVNKUGXHMIF-UHFFFAOYSA-N
MW385.57 g/mol
LogP3.93
Rot. Bonds10

About 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide

5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide (PubChem CID 56985983) has the molecular formula C20H35NO4S and a molecular weight of 385.57 g/mol. Its IUPAC name is 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide
PubChem CID56985983
Molecular FormulaC20H35NO4S
Molecular Weight385.57 g/mol
Exact Mass385.23
IUPAC Name5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide
SMILESCC(CCCC(=O)NO)SCC1C2CCC(O2)C1COC1CCCCC1
InChIInChI=1S/C20H35NO4S/c1-14(6-5-9-20(22)21-23)26-13-17-16(18-10-11-19(17)25-18)12-24-15-7-3-2-4-8-15/h14-19,23H,2-13H2,1H3,(H,21,22)
InChIKeyPDTWVNKUGXHMIF-UHFFFAOYSA-N
XLogP3.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide with MolForge

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Related Compounds

7-[3-(cyclohexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-N-hydroxy-2,2-dimethylheptanamide
CID 20196803
5-[[3-(2-cyclohexyloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211180
5-[[3-(4-cyclohexylsulfanylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide
CID 20211186
5-[[3-(2-cyclohexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide
CID 20211193
5-[[3-(cyclohexylmethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211201
5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211202
5-[1-[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211221
5-[[3-(cyclohexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]-N-hydroxy-N-methylpentanamide
CID 20211226
5-[[3-[2-(cyclohexylmethylsulfanyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211242
5-[2-[3-(2-cyclohexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211249
5-[2-[3-(cyclohexylmethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211263
5-[[3-(cyclopentylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxy-N-methylpentanamide
CID 20211289

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide?
The IUPAC name of 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide (CID 56985983) is 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide.
What is the SMILES notation for 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide?
The canonical SMILES for 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide is CC(CCCC(=O)NO)SCC1C2CCC(O2)C1COC1CCCCC1.
What is the InChIKey of 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide?
The InChIKey is PDTWVNKUGXHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4S/c1-14(6-5-9-20(22)21-23)26-13-17-16(18-10-11-19(17)25-18)12-24-15-7-3-2-4-8-15/h14-19,23H,2-13H2,1H3,(H,21,22).
What are the key properties of 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide?
5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide has a molecular weight of 385.57 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyclohexyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxyhexanamide is sourced from PubChem (CID 56985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).