1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

C17H22N2O2S2 — CID 113073930

IUPAC1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H22N2O2S2/c1-2-16-8-9-17(22-16)23(20,21)19-12-10-18(11-13-19)14-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3
InChIKeyDERINKZROGUWLY-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.82
Rot. Bonds5

About 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (PubChem CID 113073930) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
PubChem CID113073930
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H22N2O2S2/c1-2-16-8-9-17(22-16)23(20,21)19-12-10-18(11-13-19)14-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3
InChIKeyDERINKZROGUWLY-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073430
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
4-[[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646657

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (CID 113073930) is 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is DERINKZROGUWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-2-16-8-9-17(22-16)23(20,21)19-12-10-18(11-13-19)14-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3.
What are the key properties of 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 113073930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).