[3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol

C13H27NO3S — CID 79859222

IUPAC[3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol
SMILESCC1CCCC(CO)(CN(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO3S/c1-12-5-4-6-13(9-12,11-15)10-14(2)7-8-18(3,16)17/h12,15H,4-11H2,1-3H3
InChIKeyWEAQGWWMCIVINL-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.15
Rot. Bonds6

About [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol

[3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol (PubChem CID 79859222) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol
PubChem CID79859222
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name[3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol
SMILESCC1CCCC(CO)(CN(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO3S/c1-12-5-4-6-13(9-12,11-15)10-14(2)7-8-18(3,16)17/h12,15H,4-11H2,1-3H3
InChIKeyWEAQGWWMCIVINL-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol (CID 79859222) is [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol is CC1CCCC(CO)(CN(C)CCS(C)(=O)=O)C1.
What is the InChIKey of [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is WEAQGWWMCIVINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-12-5-4-6-13(9-12,11-15)10-14(2)7-8-18(3,16)17/h12,15H,4-11H2,1-3H3.
What are the key properties of [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol?
[3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 277.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 79859222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).