3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione

C14H18FN3O3S2 — CID 18133827

IUPAC3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(CN2CCOC2=S)CC1
InChIInChI=1S/C14H18FN3O3S2/c15-12-2-1-3-13(10-12)23(19,20)18-6-4-16(5-7-18)11-17-8-9-21-14(17)22/h1-3,10H,4-9,11H2
InChIKeyOSCAJKQEMHVNDK-UHFFFAOYSA-N
MW359.45 g/mol
LogP0.71
Rot. Bonds4

About 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione

3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione (PubChem CID 18133827) has the molecular formula C14H18FN3O3S2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
PubChem CID18133827
Molecular FormulaC14H18FN3O3S2
Molecular Weight359.45 g/mol
Exact Mass359.08
IUPAC Name3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(CN2CCOC2=S)CC1
InChIInChI=1S/C14H18FN3O3S2/c15-12-2-1-3-13(10-12)23(19,20)18-6-4-16(5-7-18)11-17-8-9-21-14(17)22/h1-3,10H,4-9,11H2
InChIKeyOSCAJKQEMHVNDK-UHFFFAOYSA-N
XLogP0.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133839
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133819
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
(3aS,7aR)-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911427
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione
CID 27079253
1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one
CID 55860025
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
The IUPAC name of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione (CID 18133827) is 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione.
What is the SMILES notation for 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
The canonical SMILES for 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione is O=S(=O)(c1cccc(F)c1)N1CCN(CN2CCOC2=S)CC1.
What is the InChIKey of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
The InChIKey is OSCAJKQEMHVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S2/c15-12-2-1-3-13(10-12)23(19,20)18-6-4-16(5-7-18)11-17-8-9-21-14(17)22/h1-3,10H,4-9,11H2.
What are the key properties of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione has a molecular weight of 359.45 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione is sourced from PubChem (CID 18133827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).