2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine

C15H23NO3S — CID 25256104

IUPAC2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine
SMILESNCCS(=O)(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NO3S/c16-9-10-20(17,18)15-8-4-7-14(11-15)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
InChIKeyQNNAYSCSXKKCPM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.38
Rot. Bonds6

About 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine

2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine (PubChem CID 25256104) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine
PubChem CID25256104
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine
SMILESNCCS(=O)(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NO3S/c16-9-10-20(17,18)15-8-4-7-14(11-15)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
InChIKeyQNNAYSCSXKKCPM-UHFFFAOYSA-N
XLogP2.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine?
The IUPAC name of 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine (CID 25256104) is 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine is NCCS(=O)(=O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine?
The InChIKey is QNNAYSCSXKKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c16-9-10-20(17,18)15-8-4-7-14(11-15)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2.
What are the key properties of 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine?
2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine has a molecular weight of 297.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine is sourced from PubChem (CID 25256104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).