2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C16H24N2O2S — CID 81041042

IUPAC2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC1(c2ccccc2)CN(CC2CCCS2(=O)=O)CCN1
InChIInChI=1S/C16H24N2O2S/c1-16(14-6-3-2-4-7-14)13-18(10-9-17-16)12-15-8-5-11-21(15,19)20/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyRSVFBYCOMWRXDE-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.38
Rot. Bonds3

About 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 81041042) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID81041042
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC1(c2ccccc2)CN(CC2CCCS2(=O)=O)CCN1
InChIInChI=1S/C16H24N2O2S/c1-16(14-6-3-2-4-7-14)13-18(10-9-17-16)12-15-8-5-11-21(15,19)20/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyRSVFBYCOMWRXDE-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
CID 107415536
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
CID 64833278
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine
CID 64925698
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
CID 64925110
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
CID 64925313
3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine
CID 64954623
1-heptyl-3-methyl-3-phenylpiperazine
CID 64831697
1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
CID 64832086
3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
CID 64952596
2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
CID 104519129
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
CID 64832083

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 81041042) is 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CC1(c2ccccc2)CN(CC2CCCS2(=O)=O)CCN1.
What is the InChIKey of 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is RSVFBYCOMWRXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(14-6-3-2-4-7-14)13-18(10-9-17-16)12-15-8-5-11-21(15,19)20/h2-4,6-7,15,17H,5,8-13H2,1H3.
What are the key properties of 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 308.45 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 81041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).