CID 146162313

C11H13N2OS — CID 146162313

IUPAC—
SMILES[S]/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2/b12-11-
InChIKeyCDRIKMSTOCQLGR-QXMHVHEDSA-N
MW221.31 g/mol
LogP2.20
Rot. Bonds1

About CID 146162313

CID 146162313 (PubChem CID 146162313) has the molecular formula C11H13N2OS and a molecular weight of 221.31 g/mol.

Molecular Properties

Compound NameCID 146162313
PubChem CID146162313
Molecular FormulaC11H13N2OS
Molecular Weight221.31 g/mol
Exact Mass221.07
IUPAC Name—
SMILES[S]/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2/b12-11-
InChIKeyCDRIKMSTOCQLGR-QXMHVHEDSA-N
XLogP2.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate
CID 9484360
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 54480757
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 66630041
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
ethyl N-(C,N-diphenylcarbonimidoyl)morpholine-4-carboximidothioate
CID 15723315

Frequently Asked Questions

What is the IUPAC name of CID 146162313?
The IUPAC name of CID 146162313 (CID 146162313) is not available.
What is the SMILES notation for CID 146162313?
The canonical SMILES for CID 146162313 is [S]/C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of CID 146162313?
The InChIKey is CDRIKMSTOCQLGR-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2/b12-11-.
What are the key properties of CID 146162313?
CID 146162313 has a molecular weight of 221.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146162313 is sourced from PubChem (CID 146162313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).