5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine

C14H28N2S — CID 113474546

IUPAC5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
SMILESCCC(C)C1CN(CCSC)C(C2CC2)CN1
InChIInChI=1S/C14H28N2S/c1-4-11(2)13-10-16(7-8-17-3)14(9-15-13)12-5-6-12/h11-15H,4-10H2,1-3H3
InChIKeyRZTVEQZISGCVRS-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.45
Rot. Bonds6

About 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine

5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine (PubChem CID 113474546) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
PubChem CID113474546
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
SMILESCCC(C)C1CN(CCSC)C(C2CC2)CN1
InChIInChI=1S/C14H28N2S/c1-4-11(2)13-10-16(7-8-17-3)14(9-15-13)12-5-6-12/h11-15H,4-10H2,1-3H3
InChIKeyRZTVEQZISGCVRS-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64847473
5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine
CID 64939151
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
CID 79559224
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
CID 64847673
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
CID 113474584
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
CID 64848627

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine (CID 113474546) is 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine is CCC(C)C1CN(CCSC)C(C2CC2)CN1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine?
The InChIKey is RZTVEQZISGCVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-11(2)13-10-16(7-8-17-3)14(9-15-13)12-5-6-12/h11-15H,4-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine?
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine has a molecular weight of 256.46 g/mol, XLogP of 2.45, 6 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-cyclopropyl-1-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 113474546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).