7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol

C16H25NOS — CID 18343453

IUPAC7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC(C)CSC1Cc2ccc(O)cc2C(C)(C)C1N
InChIInChI=1S/C16H25NOS/c1-10(2)9-19-14-7-11-5-6-12(18)8-13(11)16(3,4)15(14)17/h5-6,8,10,14-15,18H,7,9,17H2,1-4H3
InChIKeyIKPBDBARDZEWRV-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.31
Rot. Bonds3

About 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol

7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 18343453) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID18343453
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC(C)CSC1Cc2ccc(O)cc2C(C)(C)C1N
InChIInChI=1S/C16H25NOS/c1-10(2)9-19-14-7-11-5-6-12(18)8-13(11)16(3,4)15(14)17/h5-6,8,10,14-15,18H,7,9,17H2,1-4H3
InChIKeyIKPBDBARDZEWRV-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol (CID 18343453) is 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol is CC(C)CSC1Cc2ccc(O)cc2C(C)(C)C1N.
What is the InChIKey of 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is IKPBDBARDZEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-10(2)9-19-14-7-11-5-6-12(18)8-13(11)16(3,4)15(14)17/h5-6,8,10,14-15,18H,7,9,17H2,1-4H3.
What are the key properties of 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 279.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 18343453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).