(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C15H17BrN2O2S — CID 114896329

IUPAC(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sc3ccc(Br)cc3c2N)CC(C)O1
InChIInChI=1S/C15H17BrN2O2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(17)11-5-10(16)3-4-12(11)21-14/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyGZFOENTZSAIDGZ-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.50
Rot. Bonds1

About (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 114896329) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID114896329
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sc3ccc(Br)cc3c2N)CC(C)O1
InChIInChI=1S/C15H17BrN2O2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(17)11-5-10(16)3-4-12(11)21-14/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyGZFOENTZSAIDGZ-UHFFFAOYSA-N
XLogP3.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-bromo-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 114896311
(3-amino-5-bromo-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 114896588
(3-amino-5-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114896389
(3-amino-6-bromo-1-benzothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 114908158
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
(3-amino-6-bromo-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 114907655
(3-aminothieno[3,2-b]pyridin-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961431
(7-aminothieno[2,3-b]pyrazin-6-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961425
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114896462
(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572
1-(3-amino-5-bromo-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 114896382
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 17446861

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 114896329) is (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2sc3ccc(Br)cc3c2N)CC(C)O1.
What is the InChIKey of (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is GZFOENTZSAIDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(17)11-5-10(16)3-4-12(11)21-14/h3-5,8-9H,6-7,17H2,1-2H3.
What are the key properties of (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 369.28 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114896329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).