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

C10H17ClN2O2S2 — CID 47002261

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNCC2)c(C)s1.Cl
InChIInChI=1S/C10H16N2O2S2.ClH/c1-8-7-10(9(2)15-8)16(13,14)12-5-3-11-4-6-12;/h7,11H,3-6H2,1-2H3;1H
InChIKeyRTBNRICETJKJFH-UHFFFAOYSA-N
MW296.85 g/mol
LogP1.38
Rot. Bonds2

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

1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride (PubChem CID 47002261) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride
PubChem CID47002261
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNCC2)c(C)s1.Cl
InChIInChI=1S/C10H16N2O2S2.ClH/c1-8-7-10(9(2)15-8)16(13,14)12-5-3-11-4-6-12;/h7,11H,3-6H2,1-2H3;1H
InChIKeyRTBNRICETJKJFH-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride (CID 47002261) is 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride is Cc1cc(S(=O)(=O)N2CCNCC2)c(C)s1.Cl.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is RTBNRICETJKJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2.ClH/c1-8-7-10(9(2)15-8)16(13,14)12-5-3-11-4-6-12;/h7,11H,3-6H2,1-2H3;1H.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride?
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 296.85 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 47002261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).