2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine

C19H23N3O3S — CID 71799156

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H23N3O3S/c23-26(24,18-7-6-15-4-1-2-5-16(15)14-18)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h3,6-7,10-11,14,17H,1-2,4-5,8-9,12-13H2
InChIKeyQZRCELHTYZNLIY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine

2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine (PubChem CID 71799156) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine
PubChem CID71799156
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H23N3O3S/c23-26(24,18-7-6-15-4-1-2-5-16(15)14-18)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h3,6-7,10-11,14,17H,1-2,4-5,8-9,12-13H2
InChIKeyQZRCELHTYZNLIY-UHFFFAOYSA-N
XLogP2.59
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine (CID 71799156) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine?
The InChIKey is QZRCELHTYZNLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-26(24,18-7-6-15-4-1-2-5-16(15)14-18)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h3,6-7,10-11,14,17H,1-2,4-5,8-9,12-13H2.
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine has a molecular weight of 373.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 71799156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).