1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine

C17H22N2O2S2 — CID 113075955

IUPAC1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1
InChIInChI=1S/C17H22N2O2S2/c1-3-15-5-7-16(8-6-15)18-10-12-19(13-11-18)23(20,21)17-9-4-14(2)22-17/h4-9H,3,10-13H2,1-2H3
InChIKeySKICFPVHBJZWCK-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine

1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine (PubChem CID 113075955) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
PubChem CID113075955
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1
InChIInChI=1S/C17H22N2O2S2/c1-3-15-5-7-16(8-6-15)18-10-12-19(13-11-18)23(20,21)17-9-4-14(2)22-17/h4-9H,3,10-13H2,1-2H3
InChIKeySKICFPVHBJZWCK-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075957
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642512
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076892
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680682
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 2198495
6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640837
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2018945

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine (CID 113075955) is 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine is CCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is SKICFPVHBJZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-3-15-5-7-16(8-6-15)18-10-12-19(13-11-18)23(20,21)17-9-4-14(2)22-17/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 113075955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).