1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine

C9H16N2S — CID 89265369

IUPAC1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
SMILESC[C@@H]1CC=C(N2CCNCC2)S1
InChIInChI=1S/C9H16N2S/c1-8-2-3-9(12-8)11-6-4-10-5-7-11/h3,8,10H,2,4-7H2,1H3/t8-/m1/s1
InChIKeyDFZUEZWGPKYTHA-MRVPVSSYSA-N
MW184.31 g/mol
LogP1.26
Rot. Bonds1

About 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine

1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine (PubChem CID 89265369) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
PubChem CID89265369
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
SMILESC[C@@H]1CC=C(N2CCNCC2)S1
InChIInChI=1S/C9H16N2S/c1-8-2-3-9(12-8)11-6-4-10-5-7-11/h3,8,10H,2,4-7H2,1H3/t8-/m1/s1
InChIKeyDFZUEZWGPKYTHA-MRVPVSSYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine (CID 89265369) is 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine is C[C@@H]1CC=C(N2CCNCC2)S1.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
The InChIKey is DFZUEZWGPKYTHA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-8-2-3-9(12-8)11-6-4-10-5-7-11/h3,8,10H,2,4-7H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine has a molecular weight of 184.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine is sourced from PubChem (CID 89265369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).