[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C14H16N2O2S2 — CID 46889325

IUPAC[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cncs3)ccc21
InChIInChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-10-6-12(4-5-13(10)11)20(17,18)14-8-16-9-19-14/h4-6,8-9,11H,1-3,7,15H2/t11-/m0/s1
InChIKeyJSKGUQOIYQAUEG-NSHDSACASA-N
MW308.43 g/mol
LogP2.35
Rot. Bonds3

About [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889325) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889325
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cncs3)ccc21
InChIInChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-10-6-12(4-5-13(10)11)20(17,18)14-8-16-9-19-14/h4-6,8-9,11H,1-3,7,15H2/t11-/m0/s1
InChIKeyJSKGUQOIYQAUEG-NSHDSACASA-N
XLogP2.35
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889325) is [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(S(=O)(=O)c3cncs3)ccc21.
What is the InChIKey of [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is JSKGUQOIYQAUEG-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-10-6-12(4-5-13(10)11)20(17,18)14-8-16-9-19-14/h4-6,8-9,11H,1-3,7,15H2/t11-/m0/s1.
What are the key properties of [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 308.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).