cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone

C16H21NO2S — CID 110673048

IUPACcyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)C3CCC3)CCS2)cc1
InChIInChI=1S/C16H21NO2S/c1-19-14-7-5-12(6-8-14)15-11-17(9-10-20-15)16(18)13-3-2-4-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyBXYDCGHJIBRCDK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.11
Rot. Bonds3

About cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone

cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone (PubChem CID 110673048) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
PubChem CID110673048
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Namecyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)C3CCC3)CCS2)cc1
InChIInChI=1S/C16H21NO2S/c1-19-14-7-5-12(6-8-14)15-11-17(9-10-20-15)16(18)13-3-2-4-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyBXYDCGHJIBRCDK-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
CID 110673004
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine
CID 110673060
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 56866342

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone (CID 110673048) is cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone is COc1ccc(C2CN(C(=O)C3CCC3)CCS2)cc1.
What is the InChIKey of cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
The InChIKey is BXYDCGHJIBRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-19-14-7-5-12(6-8-14)15-11-17(9-10-20-15)16(18)13-3-2-4-13/h5-8,13,15H,2-4,9-11H2,1H3.
What are the key properties of cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone has a molecular weight of 291.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 110673048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).