(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C15H17FN2O2S — CID 79517188

IUPAC(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sc3cccc(F)c3c2N)C(C)CO1
InChIInChI=1S/C15H17FN2O2S/c1-8-7-20-9(2)6-18(8)15(19)14-13(17)12-10(16)4-3-5-11(12)21-14/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyZDUHQNKXJMYTCJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds1

About (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 79517188) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID79517188
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sc3cccc(F)c3c2N)C(C)CO1
InChIInChI=1S/C15H17FN2O2S/c1-8-7-20-9(2)6-18(8)15(19)14-13(17)12-10(16)4-3-5-11(12)21-14/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyZDUHQNKXJMYTCJ-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 79512169
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79512175
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79517608
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 79517625
(3-amino-4-fluoro-1-benzothiophen-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79512170
(3-amino-4-fluoro-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 79515305
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 95280123
(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62238786
(2-amino-3-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212668
3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 79511065
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 79510859

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 79517188) is (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2sc3cccc(F)c3c2N)C(C)CO1.
What is the InChIKey of (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZDUHQNKXJMYTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-8-7-20-9(2)6-18(8)15(19)14-13(17)12-10(16)4-3-5-11(12)21-14/h3-5,8-9H,6-7,17H2,1-2H3.
What are the key properties of (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluoro-1-benzothiophen-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 79517188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).