2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol

C12H17NO3S — CID 117391624

IUPAC2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
SMILESNCC(O)c1ccccc1S(=O)(=O)C1CCC1
InChIInChI=1S/C12H17NO3S/c13-8-11(14)10-6-1-2-7-12(10)17(15,16)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8,13H2
InChIKeyVUNBKNZDSXSELV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol

2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol (PubChem CID 117391624) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
PubChem CID117391624
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
SMILESNCC(O)c1ccccc1S(=O)(=O)C1CCC1
InChIInChI=1S/C12H17NO3S/c13-8-11(14)10-6-1-2-7-12(10)17(15,16)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8,13H2
InChIKeyVUNBKNZDSXSELV-UHFFFAOYSA-N
XLogP1.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
CID 117428997
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
CID 117421840
methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
CID 117428957
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
CID 82501956
[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
CID 117417974
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
CID 117473650
3-amino-3-[2-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117459436
2-cyclopropylsulfonylbenzaldehyde
CID 84677789
3-cyclopentylsulfonyl-2-methylaniline
CID 81190403

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol (CID 117391624) is 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol is NCC(O)c1ccccc1S(=O)(=O)C1CCC1.
What is the InChIKey of 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol?
The InChIKey is VUNBKNZDSXSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c13-8-11(14)10-6-1-2-7-12(10)17(15,16)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8,13H2.
What are the key properties of 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol?
2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol has a molecular weight of 255.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol is sourced from PubChem (CID 117391624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).