1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride

C10H16Cl2N2O2S2 — CID 126479866

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.Cl
InChIInChI=1S/C10H15ClN2O2S2.ClH/c1-2-12-5-7-13(8-6-12)17(14,15)10-4-3-9(11)16-10;/h3-4H,2,5-8H2,1H3;1H
InChIKeyNGKIOBBTSPQEDL-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.15
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride

1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride (PubChem CID 126479866) has the molecular formula C10H16Cl2N2O2S2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride
PubChem CID126479866
Molecular FormulaC10H16Cl2N2O2S2
Molecular Weight331.29 g/mol
Exact Mass330.00
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.Cl
InChIInChI=1S/C10H15ClN2O2S2.ClH/c1-2-12-5-7-13(8-6-12)17(14,15)10-4-3-9(11)16-10;/h3-4H,2,5-8H2,1H3;1H
InChIKeyNGKIOBBTSPQEDL-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride (CID 126479866) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride is CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.Cl.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride?
The InChIKey is NGKIOBBTSPQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2.ClH/c1-2-12-5-7-13(8-6-12)17(14,15)10-4-3-9(11)16-10;/h3-4H,2,5-8H2,1H3;1H.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride?
1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 126479866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).