1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine

C17H22N2S2 — CID 3347906

IUPAC1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
SMILESCSc1ccc(C(c2ccc(C)s2)N2CCNCC2)cc1
InChIInChI=1S/C17H22N2S2/c1-13-3-8-16(21-13)17(19-11-9-18-10-12-19)14-4-6-15(20-2)7-5-14/h3-8,17-18H,9-12H2,1-2H3
InChIKeyMGLSSGZNBVTJFS-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.77
Rot. Bonds4

About 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine

1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 3347906) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID3347906
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC Name1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
SMILESCSc1ccc(C(c2ccc(C)s2)N2CCNCC2)cc1
InChIInChI=1S/C17H22N2S2/c1-13-3-8-16(21-13)17(19-11-9-18-10-12-19)14-4-6-15(20-2)7-5-14/h3-8,17-18H,9-12H2,1-2H3
InChIKeyMGLSSGZNBVTJFS-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4317657
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171275677
1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 4043380
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275678
1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
CID 3435516
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 3960727
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
CID 3348475
1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 5196811
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4585079
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
3-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 3978003

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine (CID 3347906) is 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine is CSc1ccc(C(c2ccc(C)s2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is MGLSSGZNBVTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-13-3-8-16(21-13)17(19-11-9-18-10-12-19)14-4-6-15(20-2)7-5-14/h3-8,17-18H,9-12H2,1-2H3.
What are the key properties of 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 318.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 3347906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).