2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol

C10H23NO3S — CID 174108432

IUPAC2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
SMILESCC(C)CCN(CCO)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-10(2)4-5-11(6-8-12)7-9-15(3,13)14/h10,12H,4-9H2,1-3H3
InChIKeySWDGDXUYAHYANO-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.37
Rot. Bonds8

About 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol

2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol (PubChem CID 174108432) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
PubChem CID174108432
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
SMILESCC(C)CCN(CCO)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-10(2)4-5-11(6-8-12)7-9-15(3,13)14/h10,12H,4-9H2,1-3H3
InChIKeySWDGDXUYAHYANO-UHFFFAOYSA-N
XLogP0.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
2-[3-methylbutyl(2-oxoboranylsulfonylethyl)amino]ethanol
CID 171717092
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
3-methyl-1-methylsulfonylbutane
CID 20712453
[hydroxymethyl(3-methylbutyl)amino]methanesulfonic acid
CID 167409361
2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide
CID 59594112
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 11510944
[2-methylsulfonylethyl(propyl)amino]methanol
CID 174108429
3-hydroxy-N,N-bis(3-methylbutyl)propane-1-sulfonamide
CID 107871668
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol?
The IUPAC name of 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol (CID 174108432) is 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol.
What is the SMILES notation for 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol?
The canonical SMILES for 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol is CC(C)CCN(CCO)CCS(C)(=O)=O.
What is the InChIKey of 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol?
The InChIKey is SWDGDXUYAHYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2)4-5-11(6-8-12)7-9-15(3,13)14/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol?
2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol has a molecular weight of 237.36 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol is sourced from PubChem (CID 174108432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).