(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide

C14H19FN2O2S — CID 7304650

IUPAC(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C14H19FN2O2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-20(18,19)11-14/h1-4,14H,5-11H2/t14-/m1/s1
InChIKeyDIEMLVRHXIZQGI-CQSZACIVSA-N
MW298.38 g/mol
LogP1.13
Rot. Bonds2

About (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide

(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 7304650) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID7304650
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C14H19FN2O2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-20(18,19)11-14/h1-4,14H,5-11H2/t14-/m1/s1
InChIKeyDIEMLVRHXIZQGI-CQSZACIVSA-N
XLogP1.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]benzoic acid
CID 52983630
3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide
CID 133383433
5-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 127616544
3-[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383491
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]aniline
CID 61058786
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9207349
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 8530163
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 55686594
N-[4-(azepan-1-yl)phenyl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 22108504
N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109678
(3R)-3-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 96546104

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide (CID 7304650) is (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide is O=S1(=O)CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is DIEMLVRHXIZQGI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-20(18,19)11-14/h1-4,14H,5-11H2/t14-/m1/s1.
What are the key properties of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide?
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 298.38 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 7304650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).