4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine

C21H29NOS — CID 21045507

IUPAC4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine
SMILESc1ccc2c(CCCC3CCCCC3N3CCOCC3)csc2c1
InChIInChI=1S/C21H29NOS/c1-3-10-20(22-12-14-23-15-13-22)17(6-1)7-5-8-18-16-24-21-11-4-2-9-19(18)21/h2,4,9,11,16-17,20H,1,3,5-8,10,12-15H2
InChIKeyVXIGQNOQQKYTIS-UHFFFAOYSA-N
MW343.54 g/mol
LogP5.11
Rot. Bonds5

About 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine

4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine (PubChem CID 21045507) has the molecular formula C21H29NOS and a molecular weight of 343.54 g/mol. Its IUPAC name is 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine
PubChem CID21045507
Molecular FormulaC21H29NOS
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC Name4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine
SMILESc1ccc2c(CCCC3CCCCC3N3CCOCC3)csc2c1
InChIInChI=1S/C21H29NOS/c1-3-10-20(22-12-14-23-15-13-22)17(6-1)7-5-8-18-16-24-21-11-4-2-9-19(18)21/h2,4,9,11,16-17,20H,1,3,5-8,10,12-15H2
InChIKeyVXIGQNOQQKYTIS-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine?
The IUPAC name of 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine (CID 21045507) is 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine?
The canonical SMILES for 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine is c1ccc2c(CCCC3CCCCC3N3CCOCC3)csc2c1.
What is the InChIKey of 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine?
The InChIKey is VXIGQNOQQKYTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NOS/c1-3-10-20(22-12-14-23-15-13-22)17(6-1)7-5-8-18-16-24-21-11-4-2-9-19(18)21/h2,4,9,11,16-17,20H,1,3,5-8,10,12-15H2.
What are the key properties of 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine?
4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine has a molecular weight of 343.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine is sourced from PubChem (CID 21045507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).