1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O2S2 — CID 6464678

IUPAC1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O2S2/c1-14-5-2-3-6-15(14)13-17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyVYJVMJYIOORTMD-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6464678) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6464678
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O2S2/c1-14-5-2-3-6-15(14)13-17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyVYJVMJYIOORTMD-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-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (CID 6464678) is 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is Cc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is VYJVMJYIOORTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-14-5-2-3-6-15(14)13-17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine 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-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6464678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).