1-methyl-2-phenyl-4-propylsulfonylpiperazine

C14H22N2O2S — CID 110418547

IUPAC1-methyl-2-phenyl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-11-19(17,18)16-10-9-15(2)14(12-16)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyVYVLAHUKEMIREF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-2-phenyl-4-propylsulfonylpiperazine

1-methyl-2-phenyl-4-propylsulfonylpiperazine (PubChem CID 110418547) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-propylsulfonylpiperazine
PubChem CID110418547
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-methyl-2-phenyl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-11-19(17,18)16-10-9-15(2)14(12-16)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyVYVLAHUKEMIREF-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
2-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)-1-methylpiperazine
CID 110617346
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
CID 110293209
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 110097833

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-propylsulfonylpiperazine?
The IUPAC name of 1-methyl-2-phenyl-4-propylsulfonylpiperazine (CID 110418547) is 1-methyl-2-phenyl-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-methyl-2-phenyl-4-propylsulfonylpiperazine?
The canonical SMILES for 1-methyl-2-phenyl-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C)C(c2ccccc2)C1.
What is the InChIKey of 1-methyl-2-phenyl-4-propylsulfonylpiperazine?
The InChIKey is VYVLAHUKEMIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-11-19(17,18)16-10-9-15(2)14(12-16)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of 1-methyl-2-phenyl-4-propylsulfonylpiperazine?
1-methyl-2-phenyl-4-propylsulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-propylsulfonylpiperazine is sourced from PubChem (CID 110418547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).