2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine

C13H26N2S — CID 106432614

IUPAC2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine
SMILESC=CCSCCN1CC(CCC)NCC1C
InChIInChI=1S/C13H26N2S/c1-4-6-13-11-15(12(3)10-14-13)7-9-16-8-5-2/h5,12-14H,2,4,6-11H2,1,3H3
InChIKeyKCJHIQXUIMYZRA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.37
Rot. Bonds7

About 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine

2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine (PubChem CID 106432614) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine
PubChem CID106432614
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine
SMILESC=CCSCCN1CC(CCC)NCC1C
InChIInChI=1S/C13H26N2S/c1-4-6-13-11-15(12(3)10-14-13)7-9-16-8-5-2/h5,12-14H,2,4,6-11H2,1,3H3
InChIKeyKCJHIQXUIMYZRA-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.37
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

N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914417
ethane;N-methyl-N-(2-methylsulfanylethyl)piperidin-3-amine
CID 145701271
1-(3-Prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
CID 166455970
(E)-N-piperidin-3-ylprop-1-ene-1-sulfinamide
CID 170609437
2-Thiomorpholin-4-ylpentan-1-amine
CID 43210653
1-Thiomorpholin-4-ylpentan-2-amine
CID 43650446
N-(2-thiomorpholin-4-ylpropyl)pentan-2-amine
CID 62556622
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine
CID 62558856
2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine
CID 62569219
N-(2-thiomorpholin-4-ylethyl)pentan-2-amine
CID 62574166
N-[2-(3-methylthiomorpholin-4-yl)propyl]pentan-1-amine
CID 64052018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine?
The IUPAC name of 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine (CID 106432614) is 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine.
What is the SMILES notation for 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine?
The canonical SMILES for 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine is C=CCSCCN1CC(CCC)NCC1C.
What is the InChIKey of 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine?
The InChIKey is KCJHIQXUIMYZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-4-6-13-11-15(12(3)10-14-13)7-9-16-8-5-2/h5,12-14H,2,4,6-11H2,1,3H3.
What are the key properties of 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine?
2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine has a molecular weight of 242.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine is sourced from PubChem (CID 106432614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).