[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide

C15H29NO4S — CID 65006202

IUPAC[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
SMILESCC1CC(C)CC(OCC2(CS(N)(=O)=O)CCOCC2)C1
InChIInChI=1S/C15H29NO4S/c1-12-7-13(2)9-14(8-12)20-10-15(11-21(16,17)18)3-5-19-6-4-15/h12-14H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeySSKHKVBDGYNISI-UHFFFAOYSA-N
MW319.47 g/mol
LogP1.91
Rot. Bonds5

About [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide

[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide (PubChem CID 65006202) has the molecular formula C15H29NO4S and a molecular weight of 319.47 g/mol. Its IUPAC name is [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
PubChem CID65006202
Molecular FormulaC15H29NO4S
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Name[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
SMILESCC1CC(C)CC(OCC2(CS(N)(=O)=O)CCOCC2)C1
InChIInChI=1S/C15H29NO4S/c1-12-7-13(2)9-14(8-12)20-10-15(11-21(16,17)18)3-5-19-6-4-15/h12-14H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeySSKHKVBDGYNISI-UHFFFAOYSA-N
XLogP1.91
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65005951
[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
CID 65006992
[1-(cyclobutyloxymethyl)cyclopentyl]methanesulfonamide
CID 65003105
[4-[2-(2-methylpropoxy)ethoxymethyl]oxan-4-yl]methanesulfonamide
CID 106450636
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
CID 65005853
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide
CID 64729428
[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006250
[4-[(4-chloro-3-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006047
[4-[(2,4-dibromophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006201
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168
[4-[(2,3-difluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006053

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
The IUPAC name of [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide (CID 65006202) is [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide.
What is the SMILES notation for [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
The canonical SMILES for [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide is CC1CC(C)CC(OCC2(CS(N)(=O)=O)CCOCC2)C1.
What is the InChIKey of [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
The InChIKey is SSKHKVBDGYNISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4S/c1-12-7-13(2)9-14(8-12)20-10-15(11-21(16,17)18)3-5-19-6-4-15/h12-14H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 65006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).