2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol

C12H27NO3S — CID 103710302

IUPAC2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
SMILESCCCCN(CCO)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-5-6-7-13(8-10-14)9-11-17(15,16)12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyUESILIIONLEDMH-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.29
Rot. Bonds8

About 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol

2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol (PubChem CID 103710302) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
PubChem CID103710302
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
SMILESCCCCN(CCO)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-5-6-7-13(8-10-14)9-11-17(15,16)12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyUESILIIONLEDMH-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
CID 60710620
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid
CID 173031673
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol?
The IUPAC name of 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol (CID 103710302) is 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol.
What is the SMILES notation for 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol?
The canonical SMILES for 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol is CCCCN(CCO)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol?
The InChIKey is UESILIIONLEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-5-6-7-13(8-10-14)9-11-17(15,16)12(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol?
2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol has a molecular weight of 265.42 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol is sourced from PubChem (CID 103710302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).