(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C16H18ClNO2S — CID 5063276

IUPAC(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3CC(C)OC(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
InChIKeyUZBQEWCSZKDTAC-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.11
Rot. Bonds1

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

(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 5063276) 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)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID5063276
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3CC(C)OC(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
InChIKeyUZBQEWCSZKDTAC-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 5063276) is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone is Cc1ccc2c(Cl)c(C(=O)N3CC(C)OC(C)C3)sc2c1.
What is the InChIKey of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is UZBQEWCSZKDTAC-UHFFFAOYSA-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.
What are the key properties of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(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)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 5063276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).