(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane

C15H16N2O2S — CID 58845145

IUPAC(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C15H16N2O2S/c18-20(19,17-10-13-8-14(17)9-16-13)15-6-5-11-3-1-2-4-12(11)7-15/h1-7,13-14,16H,8-10H2/t13-,14-/m1/s1
InChIKeyVCSNEQLSINYTCA-ZIAGYGMSSA-N
MW288.37 g/mol
LogP1.57
Rot. Bonds2

About (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 58845145) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID58845145
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C15H16N2O2S/c18-20(19,17-10-13-8-14(17)9-16-13)15-6-5-11-3-1-2-4-12(11)7-15/h1-7,13-14,16H,8-10H2/t13-,14-/m1/s1
InChIKeyVCSNEQLSINYTCA-ZIAGYGMSSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane (CID 58845145) is (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane is O=S(=O)(c1ccc2ccccc2c1)N1C[C@H]2C[C@@H]1CN2.
What is the InChIKey of (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is VCSNEQLSINYTCA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19,17-10-13-8-14(17)9-16-13)15-6-5-11-3-1-2-4-12(11)7-15/h1-7,13-14,16H,8-10H2/t13-,14-/m1/s1.
What are the key properties of (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 288.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 58845145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).