1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine

C12H18N2S — CID 131340109

IUPAC1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1ccc(C)s1)N1CCNCC1
InChIInChI=1S/C12H18N2S/c1-3-11(12-5-4-10(2)15-12)14-8-6-13-7-9-14/h3-5,11,13H,1,6-9H2,2H3/t11-/m0/s1
InChIKeyDYOVUKLCGPSINN-NSHDSACASA-N
MW222.36 g/mol
LogP2.19
Rot. Bonds3

About 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine

1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine (PubChem CID 131340109) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
PubChem CID131340109
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1ccc(C)s1)N1CCNCC1
InChIInChI=1S/C12H18N2S/c1-3-11(12-5-4-10(2)15-12)14-8-6-13-7-9-14/h3-5,11,13H,1,6-9H2,2H3/t11-/m0/s1
InChIKeyDYOVUKLCGPSINN-NSHDSACASA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171276296
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275662
1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275661
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171294318
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171304419
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171282351
1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
CID 3347906
1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
CID 131534531
1-[(1R)-1-(2,3-dimethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288426
2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 5201718

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine (CID 131340109) is 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine is C=C[C@@H](c1ccc(C)s1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine?
The InChIKey is DYOVUKLCGPSINN-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-11(12-5-4-10(2)15-12)14-8-6-13-7-9-14/h3-5,11,13H,1,6-9H2,2H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine?
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine has a molecular weight of 222.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine is sourced from PubChem (CID 131340109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).