1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine

C15H18N2O2S2 — CID 53189140

IUPAC1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccs2)CC1c1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-16-9-10-17(21(18,19)15-8-5-11-20-15)12-14(16)13-6-3-2-4-7-13/h2-8,11,14H,9-10,12H2,1H3
InChIKeyNWKPAWIHQDFWOB-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.43
Rot. Bonds3

About 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine

1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 53189140) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID53189140
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccs2)CC1c1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-16-9-10-17(21(18,19)15-8-5-11-20-15)12-14(16)13-6-3-2-4-7-13/h2-8,11,14H,9-10,12H2,1H3
InChIKeyNWKPAWIHQDFWOB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine (CID 53189140) is 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine is CN1CCN(S(=O)(=O)c2cccs2)CC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is NWKPAWIHQDFWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-16-9-10-17(21(18,19)15-8-5-11-20-15)12-14(16)13-6-3-2-4-7-13/h2-8,11,14H,9-10,12H2,1H3.
What are the key properties of 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine?
1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 322.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 53189140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).