(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

C14H15BrN2O3S — CID 114889369

IUPAC(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1c(C(=O)N2CCOCC2CO)sc2cccc(Br)c12
InChIInChI=1S/C14H15BrN2O3S/c15-9-2-1-3-10-11(9)12(16)13(21-10)14(19)17-4-5-20-7-8(17)6-18/h1-3,8,18H,4-7,16H2
InChIKeyOEZXHMSZSTXMNO-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.08
Rot. Bonds2

About (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 114889369) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID114889369
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1c(C(=O)N2CCOCC2CO)sc2cccc(Br)c12
InChIInChI=1S/C14H15BrN2O3S/c15-9-2-1-3-10-11(9)12(16)13(21-10)14(19)17-4-5-20-7-8(17)6-18/h1-3,8,18H,4-7,16H2
InChIKeyOEZXHMSZSTXMNO-UHFFFAOYSA-N
XLogP2.08
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114888933
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114888993
(3-amino-4-fluoro-1-benzothiophen-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79512170
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(3-amino-4-bromo-1-benzothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114889371
(3-amino-4-bromo-1-benzothiophen-2-yl)-(3-aminopiperidin-1-yl)methanone
CID 114889019
3-amino-4-bromo-N-methyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
CID 114888997
(3-amino-4-bromo-1-benzothiophen-2-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114889372
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 116673825
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 114889369) is (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is Nc1c(C(=O)N2CCOCC2CO)sc2cccc(Br)c12.
What is the InChIKey of (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is OEZXHMSZSTXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c15-9-2-1-3-10-11(9)12(16)13(21-10)14(19)17-4-5-20-7-8(17)6-18/h1-3,8,18H,4-7,16H2.
What are the key properties of (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 371.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 114889369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).