1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride

C15H19ClN2O2S2 — CID 52997928

IUPAC1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2S2.ClH/c18-21(19,15-7-4-12-20-15)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14;/h1-7,12H,8-11,13H2;1H
InChIKeyGSUREUVQCHRBQC-UHFFFAOYSA-N
MW358.92 g/mol
LogP2.68
Rot. Bonds4

About 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride

1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride (PubChem CID 52997928) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
PubChem CID52997928
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2S2.ClH/c18-21(19,15-7-4-12-20-15)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14;/h1-7,12H,8-11,13H2;1H
InChIKeyGSUREUVQCHRBQC-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 6603683
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 53031675
1-(2-chloroethyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane
CID 63397546
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8553411
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride (CID 52997928) is 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The InChIKey is GSUREUVQCHRBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2.ClH/c18-21(19,15-7-4-12-20-15)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14;/h1-7,12H,8-11,13H2;1H.
What are the key properties of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride has a molecular weight of 358.92 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 52997928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).