1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine

C18H23FN2O2S2 — CID 55573570

IUPAC1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C18H23FN2O2S2/c1-2-13-25(22,23)21-11-9-20(10-12-21)14-15-7-8-18(24-15)16-5-3-4-6-17(16)19/h3-8H,2,9-14H2,1H3
InChIKeyQZWALPZCXZFOSP-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.41
Rot. Bonds6

About 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine

1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine (PubChem CID 55573570) has the molecular formula C18H23FN2O2S2 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
PubChem CID55573570
Molecular FormulaC18H23FN2O2S2
Molecular Weight382.53 g/mol
Exact Mass382.12
IUPAC Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C18H23FN2O2S2/c1-2-13-25(22,23)21-11-9-20(10-12-21)14-15-7-8-18(24-15)16-5-3-4-6-17(16)19/h3-8H,2,9-14H2,1H3
InChIKeyQZWALPZCXZFOSP-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 35262712
N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 56808058
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110022563
1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
CID 155495769
1-propylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 61383814
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 141119383
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 36726239
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine
CID 97254929
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119854290

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine (CID 55573570) is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine?
The InChIKey is QZWALPZCXZFOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S2/c1-2-13-25(22,23)21-11-9-20(10-12-21)14-15-7-8-18(24-15)16-5-3-4-6-17(16)19/h3-8H,2,9-14H2,1H3.
What are the key properties of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine?
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine has a molecular weight of 382.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 55573570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).