3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide

C18H26N2O2S — CID 84593330

IUPAC3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESC/C(=C/c1ccccc1)CN1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H26N2O2S/c1-16(13-17-5-3-2-4-6-17)14-19-8-10-20(11-9-19)18-7-12-23(21,22)15-18/h2-6,13,18H,7-12,14-15H2,1H3/b16-13-
InChIKeyJMPHZPFCIYFIHR-SSZFMOIBSA-N
MW334.48 g/mol
LogP1.89
Rot. Bonds4

About 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide

3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 84593330) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID84593330
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESC/C(=C/c1ccccc1)CN1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H26N2O2S/c1-16(13-17-5-3-2-4-6-17)14-19-8-10-20(11-9-19)18-7-12-23(21,22)15-18/h2-6,13,18H,7-12,14-15H2,1H3/b16-13-
InChIKeyJMPHZPFCIYFIHR-SSZFMOIBSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 134033946
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 138042151
2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-1-(1-methyl-2-phenylindol-3-yl)ethanone
CID 30621272
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554
1-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 45354861
1-[(1S,5S)-3-[(E)-2-methyl-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 98178070
(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 8971441
2-benzylsulfanyl-1-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 8620858
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
CID 91941498
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
CID 757381

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide (CID 84593330) is 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide is C/C(=C/c1ccccc1)CN1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is JMPHZPFCIYFIHR-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-16(13-17-5-3-2-4-6-17)14-19-8-10-20(11-9-19)18-7-12-23(21,22)15-18/h2-6,13,18H,7-12,14-15H2,1H3/b16-13-.
What are the key properties of 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide?
3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 334.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 84593330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).