(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone

C13H18N2O2S — CID 113386508

IUPAC(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(N)c2O)CC(C)S1
InChIInChI=1S/C13H18N2O2S/c1-8-6-15(7-9(2)18-8)13(17)10-4-3-5-11(14)12(10)16/h3-5,8-9,16H,6-7,14H2,1-2H3
InChIKeyRTCJJZDXWRCNHO-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.94
Rot. Bonds1

About (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone

(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone (PubChem CID 113386508) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
PubChem CID113386508
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(N)c2O)CC(C)S1
InChIInChI=1S/C13H18N2O2S/c1-8-6-15(7-9(2)18-8)13(17)10-4-3-5-11(14)12(10)16/h3-5,8-9,16H,6-7,14H2,1-2H3
InChIKeyRTCJJZDXWRCNHO-UHFFFAOYSA-N
XLogP1.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.94
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

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CID 16098483
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CID 44280140
3-acetamido-2-hydroxy-N-tetradecylbenzamide
CID 44280275
3-formamido-N-hexyl-2-hydroxybenzamide
CID 44280271
3-Azidosalicyl-N-(n-octadecyl)amide
CID 3035803
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CID 89533674
3-Acetamidosalicylamide
CID 66833068
Bis-(diethylaminohydroxybenzoyl)piperazine
CID 168434040
3-Amino-5-fluoro-2-hydroxy-benzoic acid-(2,2,2,-trifluoro-ethyl)amide
CID 19888152
N-[1-(3-amino-2-hydroxybenzoyl)piperidin-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 58736233
3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
CID 59675633

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone (CID 113386508) is (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(N)c2O)CC(C)S1.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is RTCJJZDXWRCNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-6-15(7-9(2)18-8)13(17)10-4-3-5-11(14)12(10)16/h3-5,8-9,16H,6-7,14H2,1-2H3.
What are the key properties of (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 113386508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).