2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol

C11H23NO3S — CID 79858487

IUPAC2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CCS(C)(=O)=O)CC1CCCCC1O
InChIInChI=1S/C11H23NO3S/c1-12(7-8-16(2,14)15)9-10-5-3-4-6-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyZCYBRCOZYCMBRP-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.51
Rot. Bonds5

About 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol

2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 79858487) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol
PubChem CID79858487
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CCS(C)(=O)=O)CC1CCCCC1O
InChIInChI=1S/C11H23NO3S/c1-12(7-8-16(2,14)15)9-10-5-3-4-6-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyZCYBRCOZYCMBRP-UHFFFAOYSA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol (CID 79858487) is 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol is CN(CCS(C)(=O)=O)CC1CCCCC1O.
What is the InChIKey of 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZCYBRCOZYCMBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-12(7-8-16(2,14)15)9-10-5-3-4-6-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol?
2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79858487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).