1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine

C15H24N2S — CID 117034430

IUPAC1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine
SMILESCC(C)c1ccc(SCC2CNCCN2C)cc1
InChIInChI=1S/C15H24N2S/c1-12(2)13-4-6-15(7-5-13)18-11-14-10-16-8-9-17(14)3/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeySXYODODRGFLHNC-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.81
Rot. Bonds4

About 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine

1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine (PubChem CID 117034430) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine.

Molecular Properties

Compound Name1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine
PubChem CID117034430
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine
SMILESCC(C)c1ccc(SCC2CNCCN2C)cc1
InChIInChI=1S/C15H24N2S/c1-12(2)13-4-6-15(7-5-13)18-11-14-10-16-8-9-17(14)3/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeySXYODODRGFLHNC-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(4-methylphenyl)sulfanylmethyl]piperazine
CID 117034421
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
CID 117034439
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline
CID 115238269
[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
CID 138530480
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116941744
1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956943
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
1-methyl-2-(2-naphthalen-2-ylethyl)piperazine
CID 116928404
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
CID 116941732
ethyl 5-[(1-methylpiperazin-2-yl)methoxy]-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
CID 139889820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine?
The IUPAC name of 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine (CID 117034430) is 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine.
What is the SMILES notation for 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine?
The canonical SMILES for 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine is CC(C)c1ccc(SCC2CNCCN2C)cc1.
What is the InChIKey of 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine?
The InChIKey is SXYODODRGFLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(2)13-4-6-15(7-5-13)18-11-14-10-16-8-9-17(14)3/h4-7,12,14,16H,8-11H2,1-3H3.
What are the key properties of 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine?
1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine is sourced from PubChem (CID 117034430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).