1-methyl-4-(4-methylthian-4-yl)piperazine

C11H22N2S — CID 71065654

IUPAC1-methyl-4-(4-methylthian-4-yl)piperazine
SMILESCN1CCN(C2(C)CCSCC2)CC1
InChIInChI=1S/C11H22N2S/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h3-10H2,1-2H3
InChIKeyBYEGNQMAQYSDPX-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.52
Rot. Bonds1

About 1-methyl-4-(4-methylthian-4-yl)piperazine

1-methyl-4-(4-methylthian-4-yl)piperazine (PubChem CID 71065654) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methylthian-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylthian-4-yl)piperazine
PubChem CID71065654
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-methyl-4-(4-methylthian-4-yl)piperazine
SMILESCN1CCN(C2(C)CCSCC2)CC1
InChIInChI=1S/C11H22N2S/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h3-10H2,1-2H3
InChIKeyBYEGNQMAQYSDPX-UHFFFAOYSA-N
XLogP1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylthian-4-yl)piperazine?
The IUPAC name of 1-methyl-4-(4-methylthian-4-yl)piperazine (CID 71065654) is 1-methyl-4-(4-methylthian-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-methylthian-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-(4-methylthian-4-yl)piperazine is CN1CCN(C2(C)CCSCC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylthian-4-yl)piperazine?
The InChIKey is BYEGNQMAQYSDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylthian-4-yl)piperazine?
1-methyl-4-(4-methylthian-4-yl)piperazine has a molecular weight of 214.38 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylthian-4-yl)piperazine is sourced from PubChem (CID 71065654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).