N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

C13H17N3O2S — CID 786045

IUPACN-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NN=Cc1cccc(O)c1
InChIInChI=1S/C13H17N3O2S/c17-12-3-1-2-11(8-12)9-14-15-13(18)10-16-4-6-19-7-5-16/h1-3,8-9,17H,4-7,10H2,(H,15,18)
InChIKeyUGDNQCLPGSLARM-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.89
Rot. Bonds4

About N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (PubChem CID 786045) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
PubChem CID786045
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NN=Cc1cccc(O)c1
InChIInChI=1S/C13H17N3O2S/c17-12-3-1-2-11(8-12)9-14-15-13(18)10-16-4-6-19-7-5-16/h1-3,8-9,17H,4-7,10H2,(H,15,18)
InChIKeyUGDNQCLPGSLARM-UHFFFAOYSA-N
XLogP0.89
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5406294
N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
2-(4-ethylpiperazin-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 5331709
2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 3110493

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (CID 786045) is N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)NN=Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The InChIKey is UGDNQCLPGSLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-12-3-1-2-11(8-12)9-14-15-13(18)10-16-4-6-19-7-5-16/h1-3,8-9,17H,4-7,10H2,(H,15,18).
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide has a molecular weight of 279.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 786045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).