(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

C13H13NO3S — CID 94036706

IUPAC(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1sc2ccccc2c1O)N1CCOCC1
InChIInChI=1S/C13H13NO3S/c15-11-9-3-1-2-4-10(9)18-12(11)13(16)14-5-7-17-8-6-14/h1-4,15H,5-8H2
InChIKeyMZWGCZIYWZBRNO-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.08
Rot. Bonds1

About (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 94036706) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID94036706
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1sc2ccccc2c1O)N1CCOCC1
InChIInChI=1S/C13H13NO3S/c15-11-9-3-1-2-4-10(9)18-12(11)13(16)14-5-7-17-8-6-14/h1-4,15H,5-8H2
InChIKeyMZWGCZIYWZBRNO-UHFFFAOYSA-N
XLogP2.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110251063
[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone
CID 1000910
(4-methylthiadiazol-5-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251160
(4-methylthiadiazol-5-yl)-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 95812755
1-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95812486
(3-amino-5-bromo-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 114896588
morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
CID 95830655
[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 92619571
(1-methylpyrazol-4-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251017
3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
CID 95812694

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 94036706) is (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1sc2ccccc2c1O)N1CCOCC1.
What is the InChIKey of (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is MZWGCZIYWZBRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-11-9-3-1-2-4-10(9)18-12(11)13(16)14-5-7-17-8-6-14/h1-4,15H,5-8H2.
What are the key properties of (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 263.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 94036706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).