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

C15H16N2O2S — CID 131855852

IUPAC(1S,4S)-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-/m0/s1
InChIKeyVCSNEQLSINYTCA-KBPBESRZSA-N
MW288.37 g/mol
LogP1.57
Rot. Bonds2

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

(1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 131855852) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID131855852
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(1S,4S)-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-/m0/s1
InChIKeyVCSNEQLSINYTCA-KBPBESRZSA-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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Related Compounds

(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CID 58845145
2-[(4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 69432044
2-[[(2S,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
CID 69432047
methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004
(3S,5R)-1-naphthalen-2-ylsulfonyl-5-(phenoxymethyl)pyrrolidin-3-ol
CID 69429484
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 2760916
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020
(2S)-1-naphthalen-2-ylsulfonyl-3-oxopyrrolidine-2-carboxylic acid
CID 70400393
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 70002765
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane (CID 131855852) is (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-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 (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is VCSNEQLSINYTCA-KBPBESRZSA-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-/m0/s1.
What are the key properties of (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-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 (1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 131855852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).