2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol

C11H25NO3S — CID 106723969

IUPAC2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-9(2)10(8-13)12-6-7-16(14,15)11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyCZIKKZGBLBAGAM-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.81
Rot. Bonds6

About 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol

2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol (PubChem CID 106723969) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
PubChem CID106723969
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-9(2)10(8-13)12-6-7-16(14,15)11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyCZIKKZGBLBAGAM-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1-chloro-4-methylpentan-3-amine
CID 106353871
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 79355054
2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
CID 106734343
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
N-(2-tert-butylsulfonylethyl)-1-(3-chlorophenyl)ethanamine
CID 103710330

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol (CID 106723969) is 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol is CC(C)C(CO)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol?
The InChIKey is CZIKKZGBLBAGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-9(2)10(8-13)12-6-7-16(14,15)11(3,4)5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol?
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 106723969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).