2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate

C11H23NO4S — CID 168857901

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCN(CCO)C1CCCCC1
InChIInChI=1S/C11H23NO4S/c1-17(14,15)16-10-8-12(7-9-13)11-5-3-2-4-6-11/h11,13H,2-10H2,1H3
InChIKeyCDZDPRHOCZIZRO-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.59
Rot. Bonds7

About 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate

2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate (PubChem CID 168857901) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate
PubChem CID168857901
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCN(CCO)C1CCCCC1
InChIInChI=1S/C11H23NO4S/c1-17(14,15)16-10-8-12(7-9-13)11-5-3-2-4-6-11/h11,13H,2-10H2,1H3
InChIKeyCDZDPRHOCZIZRO-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate (CID 168857901) is 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate is CS(=O)(=O)OCCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate?
The InChIKey is CDZDPRHOCZIZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-17(14,15)16-10-8-12(7-9-13)11-5-3-2-4-6-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate?
2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate has a molecular weight of 265.37 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate is sourced from PubChem (CID 168857901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).