1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine

C16H20N2O2S2 — CID 2090982

IUPAC1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C16H20N2O2S2/c1-14-7-8-16(21-14)22(19,20)18-11-9-17(10-12-18)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyMASLTPGJWSEEMG-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.56
Rot. Bonds4

About 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine

1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine (PubChem CID 2090982) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
PubChem CID2090982
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C16H20N2O2S2/c1-14-7-8-16(21-14)22(19,20)18-11-9-17(10-12-18)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyMASLTPGJWSEEMG-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine (CID 2090982) is 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is MASLTPGJWSEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-14-7-8-16(21-14)22(19,20)18-11-9-17(10-12-18)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3.
What are the key properties of 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 2090982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).