1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine

C15H18N2O2S2 — CID 2081030

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H18N2O2S2/c1-13-7-8-15(20-13)21(18,19)17-11-9-16(10-12-17)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyIYJJUTJLTPMIFP-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.57
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine

1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine (PubChem CID 2081030) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine
PubChem CID2081030
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H18N2O2S2/c1-13-7-8-15(20-13)21(18,19)17-11-9-16(10-12-17)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyIYJJUTJLTPMIFP-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 893728
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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine (CID 2081030) is 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine?
The InChIKey is IYJJUTJLTPMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-13-7-8-15(20-13)21(18,19)17-11-9-16(10-12-17)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine?
1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine has a molecular weight of 322.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 2081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).