(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C15H15ClFNO2S — CID 27233315

IUPAC(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)11-4-3-10(17)5-12(11)21-14/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
InChIKeyQETMLZLKVCNSQX-DTORHVGOSA-N
MW327.81 g/mol
LogP3.94
Rot. Bonds1

About (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 27233315) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID27233315
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)11-4-3-10(17)5-12(11)21-14/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
InChIKeyQETMLZLKVCNSQX-DTORHVGOSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2853923
Morpholino[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone
CID 1477957
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 2464066
(3-Chloro-4-fluoro-1-benzothiophen-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
CID 2971473
3,6-dichloro-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
CID 980359
Benzo[b]thiophen-2-yl(morpholino)methanone
CID 2798285
3-chloro-N-[2-(morpholin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 678100
(3-chloro-1-benzothiophen-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889570
(3-chloro-1-benzothiophen-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889571
3-chloro-6-fluoro-N-[3-(morpholin-4-yl)propyl]-1-benzothiophene-2-carboxamide
CID 2329891
3-chloro-6-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 2335634
4-(3-Chloro-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 2938150

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 27233315) is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)O1.
What is the InChIKey of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is QETMLZLKVCNSQX-DTORHVGOSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)11-4-3-10(17)5-12(11)21-14/h3-5,8-9H,6-7H2,1-2H3/t8-,9+.
What are the key properties of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 327.81 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 27233315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).