[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide

C14H27NO4S — CID 65005951

IUPAC[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
SMILESCC1CCC(OCC2(CS(N)(=O)=O)CCOCC2)CC1
InChIInChI=1S/C14H27NO4S/c1-12-2-4-13(5-3-12)19-10-14(11-20(15,16)17)6-8-18-9-7-14/h12-13H,2-11H2,1H3,(H2,15,16,17)
InChIKeyCAYOCOMRTQFDAS-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.67
Rot. Bonds5

About [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide

[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide (PubChem CID 65005951) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
PubChem CID65005951
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
SMILESCC1CCC(OCC2(CS(N)(=O)=O)CCOCC2)CC1
InChIInChI=1S/C14H27NO4S/c1-12-2-4-13(5-3-12)19-10-14(11-20(15,16)17)6-8-18-9-7-14/h12-13H,2-11H2,1H3,(H2,15,16,17)
InChIKeyCAYOCOMRTQFDAS-UHFFFAOYSA-N
XLogP1.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
CID 65006992
[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65006202
[1-(cyclobutyloxymethyl)cyclopentyl]methanesulfonamide
CID 65003105
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
CID 65010236
[4-[2-(2-methylpropoxy)ethoxymethyl]oxan-4-yl]methanesulfonamide
CID 106450636
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
CID 65005853
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168
[4-[(4-chloro-3-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006047
[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006250

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
The IUPAC name of [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide (CID 65005951) is [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide.
What is the SMILES notation for [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
The canonical SMILES for [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide is CC1CCC(OCC2(CS(N)(=O)=O)CCOCC2)CC1.
What is the InChIKey of [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
The InChIKey is CAYOCOMRTQFDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-12-2-4-13(5-3-12)19-10-14(11-20(15,16)17)6-8-18-9-7-14/h12-13H,2-11H2,1H3,(H2,15,16,17).
What are the key properties of [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide?
[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 65005951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).