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

C17H25NO2S — CID 46889916

IUPAC[(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)C3CCCCC3)ccc21
InChIInChI=1S/C17H25NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h9-11,14-15H,1-8,12,18H2/t14-/m0/s1
InChIKeyWLLDDJARBGREOH-AWEZNQCLSA-N
MW307.46 g/mol
LogP3.17
Rot. Bonds3

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

[(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889916) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889916
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name[(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)C3CCCCC3)ccc21
InChIInChI=1S/C17H25NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h9-11,14-15H,1-8,12,18H2/t14-/m0/s1
InChIKeyWLLDDJARBGREOH-AWEZNQCLSA-N
XLogP3.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889916) is [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-cyclohexylsulfonyl-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-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is WLLDDJARBGREOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h9-11,14-15H,1-8,12,18H2/t14-/m0/s1.
What are the key properties of [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 307.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).