(3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide

C14H18FNO5S2 — CID 20897867

IUPAC(3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO5S2/c15-11-1-3-12(4-2-11)23(19,20)14-10-22(17,18)9-13(14)16-5-7-21-8-6-16/h1-4,13-14H,5-10H2/t13-,14-/m0/s1
InChIKeyWKRBNXKFFOPFTK-KBPBESRZSA-N
MW363.43 g/mol
LogP0.10
Rot. Bonds3

About (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide

(3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide (PubChem CID 20897867) has the molecular formula C14H18FNO5S2 and a molecular weight of 363.43 g/mol. Its IUPAC name is (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
PubChem CID20897867
Molecular FormulaC14H18FNO5S2
Molecular Weight363.43 g/mol
Exact Mass363.06
IUPAC Name(3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO5S2/c15-11-1-3-12(4-2-11)23(19,20)14-10-22(17,18)9-13(14)16-5-7-21-8-6-16/h1-4,13-14H,5-10H2/t13-,14-/m0/s1
InChIKeyWKRBNXKFFOPFTK-KBPBESRZSA-N
XLogP0.10
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
2-[(4-Fluorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486407
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
4-[3-(Benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine
CID 2929026
Sulfone, 4-fluorophenyl 2-morpholinoethyl, hydrochloride
CID 214241
3-((3-(Morpholinosulfonyl)phenyl)sulfonyl)tetrahydrothiophene 1,1-dioxide
CID 42654967
4-[3-(Benzenesulfonyl)propyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 53624146
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 129365745
4-[1-Methyl-2-(phenylsulfonyl)ethyl]morpholine
CID 2827602
1-(2,6-Dimethylmorpholino)-2-[(4-fluorophenyl)sulfonyl]-1-ethanone
CID 2767174

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
The IUPAC name of (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide (CID 20897867) is (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
The canonical SMILES for (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide is O=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
The InChIKey is WKRBNXKFFOPFTK-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18FNO5S2/c15-11-1-3-12(4-2-11)23(19,20)14-10-22(17,18)9-13(14)16-5-7-21-8-6-16/h1-4,13-14H,5-10H2/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide?
(3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide has a molecular weight of 363.43 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-fluorophenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 20897867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).