4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

C17H25FN2O3S2 — CID 167009188

IUPAC4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCSC1(F)CCCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H25FN2O3S2/c1-24-17(18)7-4-8-19(14-17)13-15-5-2-3-6-16(15)25(21,22)20-9-11-23-12-10-20/h2-3,5-6H,4,7-14H2,1H3
InChIKeyAVWRYICLCUHFCJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.33
Rot. Bonds5

About 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 167009188) has the molecular formula C17H25FN2O3S2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID167009188
Molecular FormulaC17H25FN2O3S2
Molecular Weight388.53 g/mol
Exact Mass388.13
IUPAC Name4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCSC1(F)CCCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H25FN2O3S2/c1-24-17(18)7-4-8-19(14-17)13-15-5-2-3-6-16(15)25(21,22)20-9-11-23-12-10-20/h2-3,5-6H,4,7-14H2,1H3
InChIKeyAVWRYICLCUHFCJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009186
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669040
4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906
4-[2-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine
CID 163259033
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 167009188) is 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is CSC1(F)CCCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is AVWRYICLCUHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S2/c1-24-17(18)7-4-8-19(14-17)13-15-5-2-3-6-16(15)25(21,22)20-9-11-23-12-10-20/h2-3,5-6H,4,7-14H2,1H3.
What are the key properties of 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 388.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 167009188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).