5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol

C14H22N2O2S — CID 106324981

IUPAC5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCN1CCSCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H22N2O2S/c1-11(12-8-13(17)10-14(18)9-12)15-2-3-16-4-6-19-7-5-16/h8-11,15,17-18H,2-7H2,1H3
InChIKeyILJIULCYUGXERF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds5

About 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol

5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol (PubChem CID 106324981) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
PubChem CID106324981
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCN1CCSCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H22N2O2S/c1-11(12-8-13(17)10-14(18)9-12)15-2-3-16-4-6-19-7-5-16/h8-11,15,17-18H,2-7H2,1H3
InChIKeyILJIULCYUGXERF-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

Analyze 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
CID 103783201
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103783303
2-[4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenoxy]acetonitrile
CID 103913742
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917504
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581
5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
CID 107706521
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol (CID 106324981) is 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol is CC(NCCN1CCSCC1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol?
The InChIKey is ILJIULCYUGXERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(12-8-13(17)10-14(18)9-12)15-2-3-16-4-6-19-7-5-16/h8-11,15,17-18H,2-7H2,1H3.
What are the key properties of 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol?
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-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 5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 106324981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).