3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine

C13H20N2S — CID 117034300

IUPAC3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine
SMILESCc1ccc(C)c(SC2CN(C)CCN2)c1
InChIInChI=1S/C13H20N2S/c1-10-4-5-11(2)12(8-10)16-13-9-15(3)7-6-14-13/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyWEPAZQBJNIKXMN-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.26
Rot. Bonds2

About 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine

3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine (PubChem CID 117034300) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine
PubChem CID117034300
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine
SMILESCc1ccc(C)c(SC2CN(C)CCN2)c1
InChIInChI=1S/C13H20N2S/c1-10-4-5-11(2)12(8-10)16-13-9-15(3)7-6-14-13/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyWEPAZQBJNIKXMN-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941438
3-[(4-fluoro-2-methylphenyl)sulfanylmethyl]-1-methylpiperazine
CID 117034403
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 116956720
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956897
(2-methoxy-5-methylphenyl)-(4-methylpiperazin-2-yl)methanone
CID 116919795
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine (CID 117034300) is 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine is Cc1ccc(C)c(SC2CN(C)CCN2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine?
The InChIKey is WEPAZQBJNIKXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-4-5-11(2)12(8-10)16-13-9-15(3)7-6-14-13/h4-5,8,13-14H,6-7,9H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine?
3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine has a molecular weight of 236.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine is sourced from PubChem (CID 117034300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).