2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol

C15H25NO3S — CID 103713971

IUPAC2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(NCCS(=O)(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NO3S/c1-14(2,3)20(18,19)11-10-16-15(4,12-17)13-8-6-5-7-9-13/h5-9,16-17H,10-12H2,1-4H3
InChIKeyQZFIZNQMXBWGAE-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol

2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol (PubChem CID 103713971) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
PubChem CID103713971
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(NCCS(=O)(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NO3S/c1-14(2,3)20(18,19)11-10-16-15(4,12-17)13-8-6-5-7-9-13/h5-9,16-17H,10-12H2,1-4H3
InChIKeyQZFIZNQMXBWGAE-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 115670388
N'-hydroxy-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]butanimidamide
CID 105058316
2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
CID 115619649
methyl 2-(2-tert-butylsulfonylethylamino)-2-phenylacetate
CID 106723580
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol (CID 103713971) is 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol is CC(CO)(NCCS(=O)(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol?
The InChIKey is QZFIZNQMXBWGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-14(2,3)20(18,19)11-10-16-15(4,12-17)13-8-6-5-7-9-13/h5-9,16-17H,10-12H2,1-4H3.
What are the key properties of 2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol?
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol has a molecular weight of 299.44 g/mol, XLogP of 1.70, 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)-2-phenylpropan-1-ol is sourced from PubChem (CID 103713971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).