1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O2S2 — CID 2810368

IUPAC1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,16-7-4-14-21-16)18-12-10-17(11-13-18)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2
InChIKeyUSHQLDNGIHATGO-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine

1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 2810368) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID2810368
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,16-7-4-14-21-16)18-12-10-17(11-13-18)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2
InChIKeyUSHQLDNGIHATGO-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cinnamyl-4-(thiophen-2-ylsulfonyl)piperazine hydrochloride
CID 6603683
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
Methyl[4-(4-phenylpiperidyl)-2-(2-thienyl)butyl](phenylsulfonyl)amine
CID 479876
Methyl[4-(4-phenylpiperidyl)-2-(3-thienyl)butyl](phenylsulfonyl)amine
CID 479877
N-methyl-N-[2-phenyl-4-[4-(3-phenylpropyl)-1-piperidyl]butyl]thiophene-2-sulfonamide
CID 489306
Piperidine, 4-(3-phenylpropyl)-1-[[(3S,4S)-4-phenyl-1-(2-thienylsulfonyl)-3-pyrrolidinyl]methyl]-
CID 489312
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
4-Benzyl-1-(2-thienylsulfonyl)piperidine
CID 674994
4-Benzyl-1-[(5-bromo-2-thienyl)sulfonyl]piperidine
CID 1318357
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 2480643
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine (CID 2810368) is 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is USHQLDNGIHATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-22(20,16-7-4-14-21-16)18-12-10-17(11-13-18)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2.
What are the key properties of 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 2810368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).