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

C14H20N2S — CID 117033861

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine
SMILESc1cc2c(cc1SN1CCNCC1)CCCC2
InChIInChI=1S/C14H20N2S/c1-2-4-13-11-14(6-5-12(13)3-1)17-16-9-7-15-8-10-16/h5-6,11,15H,1-4,7-10H2
InChIKeyHDFMNEBJOUYNLV-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.48
Rot. Bonds2

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

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine (PubChem CID 117033861) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine
PubChem CID117033861
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine
SMILESc1cc2c(cc1SN1CCNCC1)CCCC2
InChIInChI=1S/C14H20N2S/c1-2-4-13-11-14(6-5-12(13)3-1)17-16-9-7-15-8-10-16/h5-6,11,15H,1-4,7-10H2
InChIKeyHDFMNEBJOUYNLV-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole
CID 176938208
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2,3,4,5,7,8,9,10-octahydro-1H-benzo[h][3]benzazepine
CID 29078509
N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
CID 117032101
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
CID 62329474
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
CID 82123165
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)cyclopropan-1-amine
CID 117035846
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 119414334
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine (CID 117033861) is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine is c1cc2c(cc1SN1CCNCC1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine?
The InChIKey is HDFMNEBJOUYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-4-13-11-14(6-5-12(13)3-1)17-16-9-7-15-8-10-16/h5-6,11,15H,1-4,7-10H2.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine?
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 2.48, 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-ylsulfanyl)piperazine is sourced from PubChem (CID 117033861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).