1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone

C20H27N5OS — CID 3228996

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C20H27N5OS/c1-14-7-5-8-15(2)24(14)19(26)13-27-20-21-22-23-25(20)18-12-6-10-16-9-3-4-11-17(16)18/h6,10,12,14-15H,3-5,7-9,11,13H2,1-2H3
InChIKeyXJQPFSBBTLNIKZ-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone (PubChem CID 3228996) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
PubChem CID3228996
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C20H27N5OS/c1-14-7-5-8-15(2)24(14)19(26)13-27-20-21-22-23-25(20)18-12-6-10-16-9-3-4-11-17(16)18/h6,10,12,14-15H,3-5,7-9,11,13H2,1-2H3
InChIKeyXJQPFSBBTLNIKZ-UHFFFAOYSA-N
XLogP3.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone (CID 3228996) is 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone is CC1CCCC(C)N1C(=O)CSc1nnnn1-c1cccc2c1CCCC2.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is XJQPFSBBTLNIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-14-7-5-8-15(2)24(14)19(26)13-27-20-21-22-23-25(20)18-12-6-10-16-9-3-4-11-17(16)18/h6,10,12,14-15H,3-5,7-9,11,13H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 385.54 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 3228996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).