1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride

C17H23ClN2O2S2 — CID 6603587

IUPAC1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)s1.Cl
InChIInChI=1S/C17H22N2O2S2.ClH/c1-14-12-17(15(2)22-14)23(20,21)19-10-8-18(9-11-19)13-16-6-4-3-5-7-16;/h3-7,12H,8-11,13H2,1-2H3;1H
InChIKeyUVOSPKRZHGMIGZ-UHFFFAOYSA-N
MW386.97 g/mol
LogP3.29
Rot. Bonds4

About 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride

1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride (PubChem CID 6603587) has the molecular formula C17H23ClN2O2S2 and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride
PubChem CID6603587
Molecular FormulaC17H23ClN2O2S2
Molecular Weight386.97 g/mol
Exact Mass386.09
IUPAC Name1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)s1.Cl
InChIInChI=1S/C17H22N2O2S2.ClH/c1-14-12-17(15(2)22-14)23(20,21)19-10-8-18(9-11-19)13-16-6-4-3-5-7-16;/h3-7,12H,8-11,13H2,1-2H3;1H
InChIKeyUVOSPKRZHGMIGZ-UHFFFAOYSA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride (CID 6603587) is 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride is Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)s1.Cl.
What is the InChIKey of 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is UVOSPKRZHGMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2.ClH/c1-14-12-17(15(2)22-14)23(20,21)19-10-8-18(9-11-19)13-16-6-4-3-5-7-16;/h3-7,12H,8-11,13H2,1-2H3;1H.
What are the key properties of 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 6603587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).