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

C17H19NO2S — CID 46889890

IUPAC[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H19NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12,18H2/t14-/m0/s1
InChIKeyJXOPYIMVAYRSFM-AWEZNQCLSA-N
MW301.41 g/mol
LogP2.90
Rot. Bonds3

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

[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889890) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889890
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H19NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12,18H2/t14-/m0/s1
InChIKeyJXOPYIMVAYRSFM-AWEZNQCLSA-N
XLogP2.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889890) is [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is JXOPYIMVAYRSFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12,18H2/t14-/m0/s1.
What are the key properties of [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 301.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).