4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine

C16H24N2O2S — CID 110617293

IUPAC4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
SMILESCN1CCN(S(=O)(=O)C2CCCC2)CC1c1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-17-11-12-18(21(19,20)15-9-5-6-10-15)13-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeyZESAAUZYUNMEGC-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.25
Rot. Bonds3

About 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine

4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine (PubChem CID 110617293) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
PubChem CID110617293
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
SMILESCN1CCN(S(=O)(=O)C2CCCC2)CC1c1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-17-11-12-18(21(19,20)15-9-5-6-10-15)13-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeyZESAAUZYUNMEGC-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine?
The IUPAC name of 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine (CID 110617293) is 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine.
What is the SMILES notation for 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine?
The canonical SMILES for 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine is CN1CCN(S(=O)(=O)C2CCCC2)CC1c1ccccc1.
What is the InChIKey of 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine?
The InChIKey is ZESAAUZYUNMEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17-11-12-18(21(19,20)15-9-5-6-10-15)13-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3.
What are the key properties of 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine?
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine has a molecular weight of 308.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine is sourced from PubChem (CID 110617293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).