5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine

C14H28N2S — CID 114188253

IUPAC5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CC(C(C)CC)NCC1C
InChIInChI=1S/C14H28N2S/c1-5-8-17-9-7-16-11-14(12(3)6-2)15-10-13(16)4/h5,12-15H,1,6-11H2,2-4H3
InChIKeyDPCZAHWZNIFAEM-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.61
Rot. Bonds7

About 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine

5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine (PubChem CID 114188253) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
PubChem CID114188253
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CC(C(C)CC)NCC1C
InChIInChI=1S/C14H28N2S/c1-5-8-17-9-7-16-11-14(12(3)6-2)15-10-13(16)4/h5,12-15H,1,6-11H2,2-4H3
InChIKeyDPCZAHWZNIFAEM-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432746
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
3-butan-2-yl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane
CID 64870751
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64936642
1-(2,2-difluoroethyl)-2-methyl-5-propan-2-ylpiperazine
CID 64831726
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine (CID 114188253) is 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine is C=CCSCCN1CC(C(C)CC)NCC1C.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The InChIKey is DPCZAHWZNIFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-5-8-17-9-7-16-11-14(12(3)6-2)15-10-13(16)4/h5,12-15H,1,6-11H2,2-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine has a molecular weight of 256.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine is sourced from PubChem (CID 114188253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).