2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol

C15H24N2O3S — CID 102860686

IUPAC2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol
SMILESNCc1cccc(S(=O)(=O)CCN(CCO)C2CCC2)c1
InChIInChI=1S/C15H24N2O3S/c16-12-13-3-1-6-15(11-13)21(19,20)10-8-17(7-9-18)14-4-2-5-14/h1,3,6,11,14,18H,2,4-5,7-10,12,16H2
InChIKeyRFTRZPCRQNRPRC-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.77
Rot. Bonds8

About 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol

2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol (PubChem CID 102860686) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol
PubChem CID102860686
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol
SMILESNCc1cccc(S(=O)(=O)CCN(CCO)C2CCC2)c1
InChIInChI=1S/C15H24N2O3S/c16-12-13-3-1-6-15(11-13)21(19,20)10-8-17(7-9-18)14-4-2-5-14/h1,3,6,11,14,18H,2,4-5,7-10,12,16H2
InChIKeyRFTRZPCRQNRPRC-UHFFFAOYSA-N
XLogP0.77
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[cyclobutyl(2-hydroxyethyl)amino]ethylsulfonyl]benzonitrile
CID 102676606
3-[2-[cyclohexyl(2-hydroxyethyl)amino]ethylsulfonyl]benzonitrile
CID 109394834
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
(3-propylsulfonylphenyl)methanamine
CID 83926717
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
[3-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694590
3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol
CID 102848383
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol (CID 102860686) is 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol is NCc1cccc(S(=O)(=O)CCN(CCO)C2CCC2)c1.
What is the InChIKey of 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol?
The InChIKey is RFTRZPCRQNRPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c16-12-13-3-1-6-15(11-13)21(19,20)10-8-17(7-9-18)14-4-2-5-14/h1,3,6,11,14,18H,2,4-5,7-10,12,16H2.
What are the key properties of 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol?
2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol has a molecular weight of 312.44 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102860686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).