5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine

C13H26N2OS — CID 113488302

IUPAC5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
SMILESCCC1CNC(C2CC2)CN1CCCS(C)=O
InChIInChI=1S/C13H26N2OS/c1-3-12-9-14-13(11-5-6-11)10-15(12)7-4-8-17(2)16/h11-14H,3-10H2,1-2H3
InChIKeyWQIGPSAUUQDBQI-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.22
Rot. Bonds6

About 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine

5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine (PubChem CID 113488302) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
PubChem CID113488302
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
SMILESCCC1CNC(C2CC2)CN1CCCS(C)=O
InChIInChI=1S/C13H26N2OS/c1-3-12-9-14-13(11-5-6-11)10-15(12)7-4-8-17(2)16/h11-14H,3-10H2,1-2H3
InChIKeyWQIGPSAUUQDBQI-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488306
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
1-(2-cyclopentyloxyethyl)-5-cyclopropyl-2-ethylpiperazine
CID 64940447
5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
CID 106211701
5-cyclohexyl-1-(2-cyclopentylethyl)-2-ethylpiperazine
CID 64935138
5-cyclopropyl-2-ethyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129860
2-benzyl-1-butyl-5-cyclopropylpiperazine
CID 64860330
5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
CID 106733268
5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 64946186
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine (CID 113488302) is 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine is CCC1CNC(C2CC2)CN1CCCS(C)=O.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
The InChIKey is WQIGPSAUUQDBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-12-9-14-13(11-5-6-11)10-15(12)7-4-8-17(2)16/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine has a molecular weight of 258.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine is sourced from PubChem (CID 113488302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).