(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone

C13H17NO2S — CID 107023047

IUPAC(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(S)cc2)CCO1
InChIInChI=1S/C13H17NO2S/c1-2-11-9-14(7-8-16-11)13(15)10-3-5-12(17)6-4-10/h3-6,11,17H,2,7-9H2,1H3
InChIKeyYBGBLMKEUOQFQU-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.23
Rot. Bonds2

About (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone

(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone (PubChem CID 107023047) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
PubChem CID107023047
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(S)cc2)CCO1
InChIInChI=1S/C13H17NO2S/c1-2-11-9-14(7-8-16-11)13(15)10-3-5-12(17)6-4-10/h3-6,11,17H,2,7-9H2,1H3
InChIKeyYBGBLMKEUOQFQU-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone
CID 125437166
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone (CID 107023047) is (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone is CCC1CN(C(=O)c2ccc(S)cc2)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone?
The InChIKey is YBGBLMKEUOQFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-11-9-14(7-8-16-11)13(15)10-3-5-12(17)6-4-10/h3-6,11,17H,2,7-9H2,1H3.
What are the key properties of (2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone?
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone has a molecular weight of 251.35 g/mol, XLogP of 2.23, 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)-(4-sulfanylphenyl)methanone is sourced from PubChem (CID 107023047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).