1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine

C23H30N2S — CID 142196889

IUPAC1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine
SMILESC=C(c1ccccc1Sc1ccc(C)cc1C)N1CCN(CCC)CC1
InChIInChI=1S/C23H30N2S/c1-5-12-24-13-15-25(16-14-24)20(4)21-8-6-7-9-23(21)26-22-11-10-18(2)17-19(22)3/h6-11,17H,4-5,12-16H2,1-3H3
InChIKeyOEKRQWJNANANFW-UHFFFAOYSA-N
MW366.57 g/mol
LogP5.45
Rot. Bonds6

About 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine

1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine (PubChem CID 142196889) has the molecular formula C23H30N2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine
PubChem CID142196889
Molecular FormulaC23H30N2S
Molecular Weight366.57 g/mol
Exact Mass366.21
IUPAC Name1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine
SMILESC=C(c1ccccc1Sc1ccc(C)cc1C)N1CCN(CCC)CC1
InChIInChI=1S/C23H30N2S/c1-5-12-24-13-15-25(16-14-24)20(4)21-8-6-7-9-23(21)26-22-11-10-18(2)17-19(22)3/h6-11,17H,4-5,12-16H2,1-3H3
InChIKeyOEKRQWJNANANFW-UHFFFAOYSA-N
XLogP5.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine?
The IUPAC name of 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine (CID 142196889) is 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine?
The canonical SMILES for 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine is C=C(c1ccccc1Sc1ccc(C)cc1C)N1CCN(CCC)CC1.
What is the InChIKey of 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine?
The InChIKey is OEKRQWJNANANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2S/c1-5-12-24-13-15-25(16-14-24)20(4)21-8-6-7-9-23(21)26-22-11-10-18(2)17-19(22)3/h6-11,17H,4-5,12-16H2,1-3H3.
What are the key properties of 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine?
1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine has a molecular weight of 366.57 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethenyl]-4-propylpiperazine is sourced from PubChem (CID 142196889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).