(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone

C12H16N2O2S — CID 43070553

IUPAC(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccc[nH]c2=S)CCO1
InChIInChI=1S/C12H16N2O2S/c1-2-9-8-14(6-7-16-9)12(15)10-4-3-5-13-11(10)17/h3-5,9H,2,6-8H2,1H3,(H,13,17)
InChIKeyRHNZHGNXCAJMNF-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.00
Rot. Bonds2

About (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone

(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone (PubChem CID 43070553) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
PubChem CID43070553
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccc[nH]c2=S)CCO1
InChIInChI=1S/C12H16N2O2S/c1-2-9-8-14(6-7-16-9)12(15)10-4-3-5-13-11(10)17/h3-5,9H,2,6-8H2,1H3,(H,13,17)
InChIKeyRHNZHGNXCAJMNF-UHFFFAOYSA-N
XLogP2.00
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 102560104
(2-amino-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 115678605
3-[(2R)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552344
3-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552345
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 95584378
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone (CID 43070553) is (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone is CCC1CN(C(=O)c2ccc[nH]c2=S)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
The InChIKey is RHNZHGNXCAJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-9-8-14(6-7-16-9)12(15)10-4-3-5-13-11(10)17/h3-5,9H,2,6-8H2,1H3,(H,13,17).
What are the key properties of (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone has a molecular weight of 252.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone is sourced from PubChem (CID 43070553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).