1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

C14H20N2O2S — CID 2546175

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCNCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-9-7-15-8-10-16)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,11,15H,1-4,7-10H2
InChIKeyKPTUZGXRJRMKEI-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.16
Rot. Bonds2

About 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine (PubChem CID 2546175) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
PubChem CID2546175
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCNCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-9-7-15-8-10-16)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,11,15H,1-4,7-10H2
InChIKeyKPTUZGXRJRMKEI-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine (CID 2546175) is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCNCC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The InChIKey is KPTUZGXRJRMKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,16-9-7-15-8-10-16)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,11,15H,1-4,7-10H2.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine has a molecular weight of 280.39 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 2546175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).