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

C16H18ClNO2S — CID 27764428

IUPAC(3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)sc2c1
InChIInChI=1S/C16H18ClNO2S/c1-9-4-5-12-13(6-9)21-15(14(12)17)16(19)18-7-10(2)20-11(3)8-18/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyUZBQEWCSZKDTAC-PHIMTYICSA-N
MW323.85 g/mol
LogP4.11
Rot. Bonds1

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

(3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 27764428) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID27764428
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)sc2c1
InChIInChI=1S/C16H18ClNO2S/c1-9-4-5-12-13(6-9)21-15(14(12)17)16(19)18-7-10(2)20-11(3)8-18/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyUZBQEWCSZKDTAC-PHIMTYICSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 2568600
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17250311
3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide
CID 17373888
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
(6-tert-butyl-3-chloro-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 34258379
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 91948603
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 49371148
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 114896329
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 27764428) is (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is Cc1ccc2c(Cl)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)sc2c1.
What is the InChIKey of (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is UZBQEWCSZKDTAC-PHIMTYICSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-9-4-5-12-13(6-9)21-15(14(12)17)16(19)18-7-10(2)20-11(3)8-18/h4-6,10-11H,7-8H2,1-3H3/t10-,11+.
What are the key properties of (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 323.85 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 27764428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).