1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine

C11H22N2OS — CID 62990691

IUPAC1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
SMILESC1CN(CCSC2CCOCC2)CCN1
InChIInChI=1S/C11H22N2OS/c1-8-14-9-2-11(1)15-10-7-13-5-3-12-4-6-13/h11-12H,1-10H2
InChIKeyWMQVEJQLOAQUTK-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.80
Rot. Bonds4

About 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine

1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine (PubChem CID 62990691) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
PubChem CID62990691
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
SMILESC1CN(CCSC2CCOCC2)CCN1
InChIInChI=1S/C11H22N2OS/c1-8-14-9-2-11(1)15-10-7-13-5-3-12-4-6-13/h11-12H,1-10H2
InChIKeyWMQVEJQLOAQUTK-UHFFFAOYSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
CID 116873116
1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine
CID 114628559
N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine
CID 114628566
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
CID 116873103
2-morpholin-4-ylethyl piperazine-1-carbodithioate
CID 125486501
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
1-(2-tert-butylsulfanylethyl)piperazine
CID 58842925
4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one
CID 121398329
1-[2-(3-cyclobutyloxetan-3-yl)ethyl]piperazine
CID 116873120
1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
CID 116840550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine?
The IUPAC name of 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine (CID 62990691) is 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine is C1CN(CCSC2CCOCC2)CCN1.
What is the InChIKey of 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine?
The InChIKey is WMQVEJQLOAQUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8-14-9-2-11(1)15-10-7-13-5-3-12-4-6-13/h11-12H,1-10H2.
What are the key properties of 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine?
1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine has a molecular weight of 230.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 62990691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).