2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol

C13H19NO3S — CID 82501956

IUPAC2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
SMILESNCC(O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c14-9-13(15)10-5-7-12(8-6-10)18(16,17)11-3-1-2-4-11/h5-8,11,13,15H,1-4,9,14H2
InChIKeyHHMSYLBTHRKLBV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds4

About 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol

2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol (PubChem CID 82501956) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
PubChem CID82501956
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
SMILESNCC(O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c14-9-13(15)10-5-7-12(8-6-10)18(16,17)11-3-1-2-4-11/h5-8,11,13,15H,1-4,9,14H2
InChIKeyHHMSYLBTHRKLBV-UHFFFAOYSA-N
XLogP1.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
4-cycloheptylsulfonylbenzoic acid
CID 82925823
4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
CID 82501901
1-(1-bromoethyl)-4-cyclopropylsulfonylbenzene
CID 166150417
(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 99805654
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127
ethyl 2-bromo-2-(4-cyclopropylsulfonylphenyl)acetate
CID 59610021
1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
CID 168640286
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine
CID 97323503
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid
CID 21093929

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol (CID 82501956) is 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol is NCC(O)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol?
The InChIKey is HHMSYLBTHRKLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c14-9-13(15)10-5-7-12(8-6-10)18(16,17)11-3-1-2-4-11/h5-8,11,13,15H,1-4,9,14H2.
What are the key properties of 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol?
2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol is sourced from PubChem (CID 82501956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).