2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine

C14H22N2O3S — CID 62672257

IUPAC2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
SMILESCCCOc1ccc(S(=O)(=O)N2CCNCC2C)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-10-19-13-4-6-14(7-5-13)20(17,18)16-9-8-15-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyFJULONRNLOQKPD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine

2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine (PubChem CID 62672257) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
PubChem CID62672257
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
SMILESCCCOc1ccc(S(=O)(=O)N2CCNCC2C)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-10-19-13-4-6-14(7-5-13)20(17,18)16-9-8-15-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyFJULONRNLOQKPD-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine?
The IUPAC name of 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine (CID 62672257) is 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine is CCCOc1ccc(S(=O)(=O)N2CCNCC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine?
The InChIKey is FJULONRNLOQKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-10-19-13-4-6-14(7-5-13)20(17,18)16-9-8-15-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine?
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 62672257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).