2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C14H25F3N2S — CID 116627430

IUPAC2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)C1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C14H25F3N2S/c1-10(2)12-8-19(6-7-20-14(15,16)17)13(3,9-18-12)11-4-5-11/h10-12,18H,4-9H2,1-3H3
InChIKeyWNRZVDIHOBBOMJ-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.34
Rot. Bonds5

About 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627430) has the molecular formula C14H25F3N2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627430
Molecular FormulaC14H25F3N2S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC Name2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)C1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C14H25F3N2S/c1-10(2)12-8-19(6-7-20-14(15,16)17)13(3,9-18-12)11-4-5-11/h10-12,18H,4-9H2,1-3H3
InChIKeyWNRZVDIHOBBOMJ-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627430) is 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC(C)C1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is WNRZVDIHOBBOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2S/c1-10(2)12-8-19(6-7-20-14(15,16)17)13(3,9-18-12)11-4-5-11/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 310.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).