1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

C15H22N2S — CID 57265472

IUPAC1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESCSc1cccc2c1CC(N1CCNCC1)CC2
InChIInChI=1S/C15H22N2S/c1-18-15-4-2-3-12-5-6-13(11-14(12)15)17-9-7-16-8-10-17/h2-4,13,16H,5-11H2,1H3
InChIKeyFXMSZFCYPDUBBQ-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.17
Rot. Bonds2

About 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (PubChem CID 57265472) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
PubChem CID57265472
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESCSc1cccc2c1CC(N1CCNCC1)CC2
InChIInChI=1S/C15H22N2S/c1-18-15-4-2-3-12-5-6-13(11-14(12)15)17-9-7-16-8-10-17/h2-4,13,16H,5-11H2,1H3
InChIKeyFXMSZFCYPDUBBQ-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The IUPAC name of 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (CID 57265472) is 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The canonical SMILES for 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is CSc1cccc2c1CC(N1CCNCC1)CC2.
What is the InChIKey of 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The InChIKey is FXMSZFCYPDUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-18-15-4-2-3-12-5-6-13(11-14(12)15)17-9-7-16-8-10-17/h2-4,13,16H,5-11H2,1H3.
What are the key properties of 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is sourced from PubChem (CID 57265472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).