2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol

C14H22N2O2S — CID 106324963

IUPAC2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
SMILESCC(NCCN1CCSCC1)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O2S/c1-11(13-10-12(17)2-3-14(13)18)15-4-5-16-6-8-19-9-7-16/h2-3,10-11,15,17-18H,4-9H2,1H3
InChIKeyHOUAYWUFNFXKIP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds5

About 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol

2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol (PubChem CID 106324963) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
PubChem CID106324963
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
SMILESCC(NCCN1CCSCC1)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O2S/c1-11(13-10-12(17)2-3-14(13)18)15-4-5-16-6-8-19-9-7-16/h2-3,10-11,15,17-18H,4-9H2,1H3
InChIKeyHOUAYWUFNFXKIP-UHFFFAOYSA-N
XLogP1.80
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324981
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103783303
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
4-methoxy-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43195506
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol (CID 106324963) is 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol is CC(NCCN1CCSCC1)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
The InChIKey is HOUAYWUFNFXKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(13-10-12(17)2-3-14(13)18)15-4-5-16-6-8-19-9-7-16/h2-3,10-11,15,17-18H,4-9H2,1H3.
What are the key properties of 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol has a molecular weight of 282.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol is sourced from PubChem (CID 106324963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).