1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone

C17H21N5O2S — CID 644422

IUPAC1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C17H21N5O2S/c23-16(21-8-10-24-11-9-21)12-25-17-18-19-20-22(17)15-7-3-5-13-4-1-2-6-14(13)15/h3,5,7H,1-2,4,6,8-12H2
InChIKeyNYFZVNKRKHYZDY-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.49
Rot. Bonds4

About 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone

1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone (PubChem CID 644422) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
PubChem CID644422
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C17H21N5O2S/c23-16(21-8-10-24-11-9-21)12-25-17-18-19-20-22(17)15-7-3-5-13-4-1-2-6-14(13)15/h3,5,7H,1-2,4,6,8-12H2
InChIKeyNYFZVNKRKHYZDY-UHFFFAOYSA-N
XLogP1.49
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl {[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetate
CID 1260000
1-Morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 851331
2-[[5-Benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 1005871
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 1164138
1-{[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}-1,2,3,4-tetrahydroquinoline
CID 1250302
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-{[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1251070
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2485684
N-Cyclopentyl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 3228993
1-Pyrrolidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228994
1-Piperidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228995
1-(2,6-Dimethyl-piperidin-1-yl)-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228996
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 15945309

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone (CID 644422) is 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is NYFZVNKRKHYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-16(21-8-10-24-11-9-21)12-25-17-18-19-20-22(17)15-7-3-5-13-4-1-2-6-14(13)15/h3,5,7H,1-2,4,6,8-12H2.
What are the key properties of 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone?
1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 359.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 644422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).