1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine

C15H24N2S — CID 117035736

IUPAC1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
SMILESCc1ccc(SCC(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-13-4-6-14(7-5-13)18-12-15(2,3)17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
InChIKeyDRIFKXJWZFVTSH-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine

1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine (PubChem CID 117035736) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
PubChem CID117035736
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
SMILESCc1ccc(SCC(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-13-4-6-14(7-5-13)18-12-15(2,3)17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
InChIKeyDRIFKXJWZFVTSH-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
CID 82501523
1-[2-(4-methylphenyl)sulfanylethyl]-1,4-diazepane
CID 43162549
1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine
CID 117035745
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
1-methyl-2-[(4-methylphenyl)sulfanylmethyl]piperazine
CID 117034421
1-[2-methyl-1-[4-(2-methylpropyl)phenyl]propan-2-yl]piperazine
CID 95477611
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine
CID 177239823
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 105467034
3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
CID 115255592
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine (CID 117035736) is 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine is Cc1ccc(SCC(C)(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine?
The InChIKey is DRIFKXJWZFVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-13-4-6-14(7-5-13)18-12-15(2,3)17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine?
1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine is sourced from PubChem (CID 117035736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).