N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide

C11H15N3O2S — CID 791501

IUPACN-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NN=Cc1ccco1
InChIInChI=1S/C11H15N3O2S/c15-11(9-14-3-6-17-7-4-14)13-12-8-10-2-1-5-16-10/h1-2,5,8H,3-4,6-7,9H2,(H,13,15)
InChIKeyOKMQFNZMAQZQLZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.78
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide

N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide (PubChem CID 791501) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
PubChem CID791501
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NN=Cc1ccco1
InChIInChI=1S/C11H15N3O2S/c15-11(9-14-3-6-17-7-4-14)13-12-8-10-2-1-5-16-10/h1-2,5,8H,3-4,6-7,9H2,(H,13,15)
InChIKeyOKMQFNZMAQZQLZ-UHFFFAOYSA-N
XLogP0.78
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
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
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6862517
N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 6880038
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide (CID 791501) is N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
The InChIKey is OKMQFNZMAQZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-11(9-14-3-6-17-7-4-14)13-12-8-10-2-1-5-16-10/h1-2,5,8H,3-4,6-7,9H2,(H,13,15).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide has a molecular weight of 253.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 791501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).