5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine

C12H20N2S — CID 66356270

IUPAC5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
SMILESCC1CN(c2ccsc2)C(C(C)C)CN1
InChIInChI=1S/C12H20N2S/c1-9(2)12-6-13-10(3)7-14(12)11-4-5-15-8-11/h4-5,8-10,12-13H,6-7H2,1-3H3
InChIKeyNNTAWHBGTWLWDA-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.57
Rot. Bonds2

About 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine

5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine (PubChem CID 66356270) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
PubChem CID66356270
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
SMILESCC1CN(c2ccsc2)C(C(C)C)CN1
InChIInChI=1S/C12H20N2S/c1-9(2)12-6-13-10(3)7-14(12)11-4-5-15-8-11/h4-5,8-10,12-13H,6-7H2,1-3H3
InChIKeyNNTAWHBGTWLWDA-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine (CID 66356270) is 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine is CC1CN(c2ccsc2)C(C(C)C)CN1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine?
The InChIKey is NNTAWHBGTWLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)12-6-13-10(3)7-14(12)11-4-5-15-8-11/h4-5,8-10,12-13H,6-7H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine?
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine has a molecular weight of 224.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66356270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).