(3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine

C10H16N2S — CID 69410521

IUPAC(3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine
SMILESCc1sccc1N1CCN[C@@H](C)C1
InChIInChI=1S/C10H16N2S/c1-8-7-12(5-4-11-8)10-3-6-13-9(10)2/h3,6,8,11H,4-5,7H2,1-2H3/t8-/m0/s1
InChIKeyANYWKDJEUGNTKG-QMMMGPOBSA-N
MW196.32 g/mol
LogP1.85
Rot. Bonds1

About (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine

(3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine (PubChem CID 69410521) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine
PubChem CID69410521
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine
SMILESCc1sccc1N1CCN[C@@H](C)C1
InChIInChI=1S/C10H16N2S/c1-8-7-12(5-4-11-8)10-3-6-13-9(10)2/h3,6,8,11H,4-5,7H2,1-2H3/t8-/m0/s1
InChIKeyANYWKDJEUGNTKG-QMMMGPOBSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine (CID 69410521) is (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine is Cc1sccc1N1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine?
The InChIKey is ANYWKDJEUGNTKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-7-12(5-4-11-8)10-3-6-13-9(10)2/h3,6,8,11H,4-5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine?
(3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine has a molecular weight of 196.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(2-methylthiophen-3-yl)piperazine is sourced from PubChem (CID 69410521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).