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

C13H12ClNO2S — CID 748154

IUPAC(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCOCC1
InChIInChI=1S/C13H12ClNO2S/c14-11-9-3-1-2-4-10(9)18-12(11)13(16)15-5-7-17-8-6-15/h1-4H,5-8H2
InChIKeyWLBVHEAVEDLITQ-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.03
Rot. Bonds1

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

(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 748154) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID748154
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCOCC1
InChIInChI=1S/C13H12ClNO2S/c14-11-9-3-1-2-4-10(9)18-12(11)13(16)15-5-7-17-8-6-15/h1-4H,5-8H2
InChIKeyWLBVHEAVEDLITQ-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone
CID 1000910
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 54858474
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 6976204
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17194977
1-[4-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 1245042
(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572
[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41309789
2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
CID 5047819
(3-chloro-1-benzothiophen-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17148808
3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 748154) is (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1sc2ccccc2c1Cl)N1CCOCC1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is WLBVHEAVEDLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-11-9-3-1-2-4-10(9)18-12(11)13(16)15-5-7-17-8-6-15/h1-4H,5-8H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 281.76 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 748154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).