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

C10H15ClN2O2S2 — CID 6468999

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2O2S2/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
InChIKeyDKSXZPPFAQHCLU-UHFFFAOYSA-N
MW294.83 g/mol
LogP1.73
Rot. Bonds3

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

1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine (PubChem CID 6468999) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine
PubChem CID6468999
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2O2S2/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
InChIKeyDKSXZPPFAQHCLU-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 51.73
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?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine (CID 6468999) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is DKSXZPPFAQHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/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.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 294.83 g/mol, XLogP of 1.73, 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 is sourced from PubChem (CID 6468999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).