1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine

C17H22N2O2S2 — CID 113075282

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)s1
InChIInChI=1S/C17H22N2O2S2/c1-3-16-7-8-17(22-16)23(20,21)19-11-9-18(10-12-19)15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyFNHVZVHNFOVPIW-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.13
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine

1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine (PubChem CID 113075282) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
PubChem CID113075282
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)s1
InChIInChI=1S/C17H22N2O2S2/c1-3-16-7-8-17(22-16)23(20,21)19-11-9-18(10-12-19)15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyFNHVZVHNFOVPIW-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

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Related Compounds

1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076892
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006158
5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 45308206
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine (CID 113075282) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine is CCc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine?
The InChIKey is FNHVZVHNFOVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-3-16-7-8-17(22-16)23(20,21)19-11-9-18(10-12-19)15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine 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-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 113075282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).