2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol

C13H19NO3S — CID 62414957

IUPAC2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CNC2CCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)12-7-5-10(6-8-12)13(15)9-14-11-3-2-4-11/h5-8,11,13-15H,2-4,9H2,1H3
InChIKeyVLZZKYGJDUWBAL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.27
Rot. Bonds5

About 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol

2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 62414957) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID62414957
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CNC2CCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)12-7-5-10(6-8-12)13(15)9-14-11-3-2-4-11/h5-8,11,13-15H,2-4,9H2,1H3
InChIKeyVLZZKYGJDUWBAL-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 60899511
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol
CID 153348387
1-(4-methylsulfonylphenyl)-2-(oxan-3-ylmethylamino)ethanol
CID 61019335
2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 60908996
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol (CID 62414957) is 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)CNC2CCC2)cc1.
What is the InChIKey of 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is VLZZKYGJDUWBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(16,17)12-7-5-10(6-8-12)13(15)9-14-11-3-2-4-11/h5-8,11,13-15H,2-4,9H2,1H3.
What are the key properties of 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol?
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 62414957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).