2-amino-4-(thiomorpholin-4-ylmethyl)phenol

C11H16N2OS — CID 43375800

IUPAC2-amino-4-(thiomorpholin-4-ylmethyl)phenol
SMILESNc1cc(CN2CCSCC2)ccc1O
InChIInChI=1S/C11H16N2OS/c12-10-7-9(1-2-11(10)14)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8,12H2
InChIKeyWIMQVJYEWZMOQF-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-4-(thiomorpholin-4-ylmethyl)phenol

2-amino-4-(thiomorpholin-4-ylmethyl)phenol (PubChem CID 43375800) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-4-(thiomorpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(thiomorpholin-4-ylmethyl)phenol
PubChem CID43375800
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-amino-4-(thiomorpholin-4-ylmethyl)phenol
SMILESNc1cc(CN2CCSCC2)ccc1O
InChIInChI=1S/C11H16N2OS/c12-10-7-9(1-2-11(10)14)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8,12H2
InChIKeyWIMQVJYEWZMOQF-UHFFFAOYSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
CID 47003390
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 62776718
2-amino-4-[(4,4-dimethylazepan-1-yl)methyl]phenol
CID 65283266
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
4-[(3-amino-4-hydroxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361460
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CID 54970521
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
2-amino-4-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]phenol
CID 81459680
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
4-[(3-ethynylphenyl)methyl]thiomorpholine
CID 145321130

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(thiomorpholin-4-ylmethyl)phenol?
The IUPAC name of 2-amino-4-(thiomorpholin-4-ylmethyl)phenol (CID 43375800) is 2-amino-4-(thiomorpholin-4-ylmethyl)phenol.
What is the SMILES notation for 2-amino-4-(thiomorpholin-4-ylmethyl)phenol?
The canonical SMILES for 2-amino-4-(thiomorpholin-4-ylmethyl)phenol is Nc1cc(CN2CCSCC2)ccc1O.
What is the InChIKey of 2-amino-4-(thiomorpholin-4-ylmethyl)phenol?
The InChIKey is WIMQVJYEWZMOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-10-7-9(1-2-11(10)14)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8,12H2.
What are the key properties of 2-amino-4-(thiomorpholin-4-ylmethyl)phenol?
2-amino-4-(thiomorpholin-4-ylmethyl)phenol has a molecular weight of 224.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(thiomorpholin-4-ylmethyl)phenol is sourced from PubChem (CID 43375800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).