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

C16H20N2O2S2 — CID 113075857

IUPAC1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O2S2/c1-2-14-6-3-4-7-15(14)17-9-11-18(12-10-17)22(19,20)16-8-5-13-21-16/h3-8,13H,2,9-12H2,1H3
InChIKeyFOONHBSFWYPNSI-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.82
Rot. Bonds4

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

1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 113075857) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID113075857
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O2S2/c1-2-14-6-3-4-7-15(14)17-9-11-18(12-10-17)22(19,20)16-8-5-13-21-16/h3-8,13H,2,9-12H2,1H3
InChIKeyFOONHBSFWYPNSI-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylsulfonylpiperazine
CID 113079667
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-thiophen-2-ylsulfonylpiperazine
CID 3865892

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 113075857) is 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine is CCc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is FOONHBSFWYPNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-2-14-6-3-4-7-15(14)17-9-11-18(12-10-17)22(19,20)16-8-5-13-21-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 113075857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).