4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine

C20H27NO2S — CID 21045496

IUPAC4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
SMILESc1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1
InChIInChI=1S/C20H27NO2S/c1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21/h1,4-5,8,15,18-19H,2-3,6-7,9-14H2/t18-,19-/m1/s1
InChIKeyXMETTZAVKMMHKX-RTBURBONSA-N
MW345.51 g/mol
LogP4.10
Rot. Bonds5

About 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine

4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine (PubChem CID 21045496) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
PubChem CID21045496
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
SMILESc1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1
InChIInChI=1S/C20H27NO2S/c1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21/h1,4-5,8,15,18-19H,2-3,6-7,9-14H2/t18-,19-/m1/s1
InChIKeyXMETTZAVKMMHKX-RTBURBONSA-N
XLogP4.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 21045498
4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine
CID 21045507
4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
CID 67152377
4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine
CID 158054197
4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
CID 58648747
4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 16738247
4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
CID 16738236
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 22418285
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
CID 82037392

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine?
The IUPAC name of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine (CID 21045496) is 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine is c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1.
What is the InChIKey of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine?
The InChIKey is XMETTZAVKMMHKX-RTBURBONSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21/h1,4-5,8,15,18-19H,2-3,6-7,9-14H2/t18-,19-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine?
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine has a molecular weight of 345.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine is sourced from PubChem (CID 21045496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).