1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C14H20N4O2S2 — CID 71783848

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)s1
InChIInChI=1S/C14H20N4O2S2/c1-13-3-4-14(21-13)22(19,20)18-11-8-16(9-12-18)7-10-17-6-2-5-15-17/h2-6H,7-12H2,1H3
InChIKeyURJNLWJKMQSNPK-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.26
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 71783848) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID71783848
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)s1
InChIInChI=1S/C14H20N4O2S2/c1-13-3-4-14(21-13)22(19,20)18-11-8-16(9-12-18)7-10-17-6-2-5-15-17/h2-6H,7-12H2,1H3
InChIKeyURJNLWJKMQSNPK-UHFFFAOYSA-N
XLogP1.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 71783848) is 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is URJNLWJKMQSNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-13-3-4-14(21-13)22(19,20)18-11-8-16(9-12-18)7-10-17-6-2-5-15-17/h2-6H,7-12H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 340.47 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 71783848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).