[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C17H18FNO2S — CID 46889893

IUPAC[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H18FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h2,5-10,13H,1,3-4,11,19H2/t13-/m0/s1
InChIKeyRJCGVXCLLBQVMP-ZDUSSCGKSA-N
MW319.40 g/mol
LogP3.04
Rot. Bonds3

About [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889893) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889893
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H18FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h2,5-10,13H,1,3-4,11,19H2/t13-/m0/s1
InChIKeyRJCGVXCLLBQVMP-ZDUSSCGKSA-N
XLogP3.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889893) is [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is RJCGVXCLLBQVMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h2,5-10,13H,1,3-4,11,19H2/t13-/m0/s1.
What are the key properties of [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 319.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).