4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine

C13H14ClNOS — CID 22730439

IUPAC4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine
SMILESCc1c(N2CCOCC2)sc2ccc(Cl)cc12
InChIInChI=1S/C13H14ClNOS/c1-9-11-8-10(14)2-3-12(11)17-13(9)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyVJIRLYYMFHZRCB-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.70
Rot. Bonds1

About 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine

4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine (PubChem CID 22730439) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine
PubChem CID22730439
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine
SMILESCc1c(N2CCOCC2)sc2ccc(Cl)cc12
InChIInChI=1S/C13H14ClNOS/c1-9-11-8-10(14)2-3-12(11)17-13(9)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyVJIRLYYMFHZRCB-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine?
The IUPAC name of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine (CID 22730439) is 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine?
The canonical SMILES for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine is Cc1c(N2CCOCC2)sc2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine?
The InChIKey is VJIRLYYMFHZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9-11-8-10(14)2-3-12(11)17-13(9)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine?
4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine has a molecular weight of 267.78 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)morpholine is sourced from PubChem (CID 22730439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).