(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C20H33NOS — CID 155097114

IUPAC(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCCCSC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C20H33NOS/c1-2-11-23-15-16-6-7-18-13-19(9-8-17(18)12-16)20(14-21)5-3-4-10-22/h8-9,13,16,20,22H,2-7,10-12,14-15,21H2,1H3/t16-,20-/m0/s1
InChIKeyQJUCJCAXUKAGRZ-JXFKEZNVSA-N
MW335.56 g/mol
LogP4.14
Rot. Bonds10

About (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 155097114) has the molecular formula C20H33NOS and a molecular weight of 335.56 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID155097114
Molecular FormulaC20H33NOS
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCCCSC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C20H33NOS/c1-2-11-23-15-16-6-7-18-13-19(9-8-17(18)12-16)20(14-21)5-3-4-10-22/h8-9,13,16,20,22H,2-7,10-12,14-15,21H2,1H3/t16-,20-/m0/s1
InChIKeyQJUCJCAXUKAGRZ-JXFKEZNVSA-N
XLogP4.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 155097114) is (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is CCCSC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1.
What is the InChIKey of (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is QJUCJCAXUKAGRZ-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H33NOS/c1-2-11-23-15-16-6-7-18-13-19(9-8-17(18)12-16)20(14-21)5-3-4-10-22/h8-9,13,16,20,22H,2-7,10-12,14-15,21H2,1H3/t16-,20-/m0/s1.
What are the key properties of (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 335.56 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 155097114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).