1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole

C16H20N4O2S — CID 131703794

IUPAC1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Cn2cncn2)C1
InChIInChI=1S/C16H20N4O2S/c21-23(22,16-6-5-14-3-1-2-4-15(14)7-16)20-9-13(10-20)8-19-12-17-11-18-19/h5-7,11-13H,1-4,8-10H2
InChIKeyHONVNUTVFGTYNW-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.48
Rot. Bonds4

About 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole

1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole (PubChem CID 131703794) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole
PubChem CID131703794
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Cn2cncn2)C1
InChIInChI=1S/C16H20N4O2S/c21-23(22,16-6-5-14-3-1-2-4-15(14)7-16)20-9-13(10-20)8-19-12-17-11-18-19/h5-7,11-13H,1-4,8-10H2
InChIKeyHONVNUTVFGTYNW-UHFFFAOYSA-N
XLogP1.48
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole (CID 131703794) is 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole is O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Cn2cncn2)C1.
What is the InChIKey of 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole?
The InChIKey is HONVNUTVFGTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,16-6-5-14-3-1-2-4-15(14)7-16)20-9-13(10-20)8-19-12-17-11-18-19/h5-7,11-13H,1-4,8-10H2.
What are the key properties of 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole?
1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole has a molecular weight of 332.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 131703794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).