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

C18H21NO2S — CID 46889915

IUPAC[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C18H21NO2S/c19-12-16-8-4-7-15-11-17(9-10-18(15)16)22(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,16H,4,7-8,12-13,19H2/t16-/m0/s1
InChIKeyXCWIADZUHWFIDZ-INIZCTEOSA-N
MW315.44 g/mol
LogP3.04
Rot. Bonds4

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

[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889915) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889915
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C18H21NO2S/c19-12-16-8-4-7-15-11-17(9-10-18(15)16)22(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,16H,4,7-8,12-13,19H2/t16-/m0/s1
InChIKeyXCWIADZUHWFIDZ-INIZCTEOSA-N
XLogP3.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
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-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889915) is [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(S(=O)(=O)Cc3ccccc3)ccc21.
What is the InChIKey of [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is XCWIADZUHWFIDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO2S/c19-12-16-8-4-7-15-11-17(9-10-18(15)16)22(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,16H,4,7-8,12-13,19H2/t16-/m0/s1.
What are the key properties of [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 315.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).