2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol

C8H19NO4S — CID 63196306

IUPAC2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
SMILESCS(=O)(=O)CCCN(CCO)CCO
InChIInChI=1S/C8H19NO4S/c1-14(12,13)8-2-3-9(4-6-10)5-7-11/h10-11H,2-8H2,1H3
InChIKeyNEJIZFVSMGCJMW-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.29
Rot. Bonds8

About 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol

2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol (PubChem CID 63196306) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
PubChem CID63196306
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
SMILESCS(=O)(=O)CCCN(CCO)CCO
InChIInChI=1S/C8H19NO4S/c1-14(12,13)8-2-3-9(4-6-10)5-7-11/h10-11H,2-8H2,1H3
InChIKeyNEJIZFVSMGCJMW-UHFFFAOYSA-N
XLogP-1.29
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 23568037
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346
2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
CID 174108432
N,N-dibutyl-4-methylsulfonylbutan-1-amine
CID 58058792
4-[bis(2-hydroxyethyl)amino]butane-1-sulfonic acid
CID 22348636
bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
CID 55163330
2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide
CID 59594112
6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
CID 103710302

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol (CID 63196306) is 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol is CS(=O)(=O)CCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol?
The InChIKey is NEJIZFVSMGCJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-14(12,13)8-2-3-9(4-6-10)5-7-11/h10-11H,2-8H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol?
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol has a molecular weight of 225.31 g/mol, XLogP of -1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol is sourced from PubChem (CID 63196306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).