4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine

C18H23NOS — CID 67152389

IUPAC4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine
SMILESc1cc(C2CCCCC2)c2cc(N3CCOCC3)sc2c1
InChIInChI=1S/C18H23NOS/c1-2-5-14(6-3-1)15-7-4-8-17-16(15)13-18(21-17)19-9-11-20-12-10-19/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeySRNICBCDGINSEB-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.79
Rot. Bonds2

About 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine

4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine (PubChem CID 67152389) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine
PubChem CID67152389
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine
SMILESc1cc(C2CCCCC2)c2cc(N3CCOCC3)sc2c1
InChIInChI=1S/C18H23NOS/c1-2-5-14(6-3-1)15-7-4-8-17-16(15)13-18(21-17)19-9-11-20-12-10-19/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeySRNICBCDGINSEB-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Phenylthiophen-2-yl)morpholine
CID 693178
4-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994725
4-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994988
Morpholine, 4-benzo[b]thien-3-yl-
CID 12190199
N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 66906751
2-(3-Morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile
CID 46228214
4-Dibenzothiophen-2-ylmorpholine
CID 168269029
4-(4-Phenyl-thiophen-2-yl)-morpholine
CID 10800406
2-(Morpholin-4-yl)-1-benzothiophene
CID 12449086
4-[[4-(4-Fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine
CID 129160764
4-[7-Chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine
CID 138540903
4-[4-[(4-Fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine
CID 138540911

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine?
The IUPAC name of 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine (CID 67152389) is 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine?
The canonical SMILES for 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine is c1cc(C2CCCCC2)c2cc(N3CCOCC3)sc2c1.
What is the InChIKey of 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine?
The InChIKey is SRNICBCDGINSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-5-14(6-3-1)15-7-4-8-17-16(15)13-18(21-17)19-9-11-20-12-10-19/h4,7-8,13-14H,1-3,5-6,9-12H2.
What are the key properties of 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine?
4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine has a molecular weight of 301.46 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-1-benzothiophen-2-yl)morpholine is sourced from PubChem (CID 67152389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).