4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine

C13H18FNO4S — CID 154879948

IUPAC4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
SMILESCc1cc(CN2CCOCC2)cc(C)c1OS(=O)(=O)F
InChIInChI=1S/C13H18FNO4S/c1-10-7-12(9-15-3-5-18-6-4-15)8-11(2)13(10)19-20(14,16)17/h7-8H,3-6,9H2,1-2H3
InChIKeyXOGQAPXJBJFRIC-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.73
Rot. Bonds4

About 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine

4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine (PubChem CID 154879948) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
PubChem CID154879948
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
SMILESCc1cc(CN2CCOCC2)cc(C)c1OS(=O)(=O)F
InChIInChI=1S/C13H18FNO4S/c1-10-7-12(9-15-3-5-18-6-4-15)8-11(2)13(10)19-20(14,16)17/h7-8H,3-6,9H2,1-2H3
InChIKeyXOGQAPXJBJFRIC-UHFFFAOYSA-N
XLogP1.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
CID 122631498
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[2-[4-[(4-fluorosulfonyloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,4-oxazepane
CID 167982941
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
4-[(2-fluorosulfonyloxyphenyl)methyl]morpholine
CID 174848163
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271462
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
2-tert-butyl-4-[[13-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-6-methylphenol
CID 11028199
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine?
The IUPAC name of 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine (CID 154879948) is 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine is Cc1cc(CN2CCOCC2)cc(C)c1OS(=O)(=O)F.
What is the InChIKey of 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine?
The InChIKey is XOGQAPXJBJFRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-10-7-12(9-15-3-5-18-6-4-15)8-11(2)13(10)19-20(14,16)17/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine?
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine has a molecular weight of 303.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine is sourced from PubChem (CID 154879948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).