(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol

C13H19NOS — CID 10331735

IUPAC(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
InChIInChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1
InChIKeyYNJHXPKZSMEYTQ-VXGBXAGGSA-N
MW237.37 g/mol
LogP2.28
Rot. Bonds1

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

(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 10331735) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID10331735
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
InChIInChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1
InChIKeyYNJHXPKZSMEYTQ-VXGBXAGGSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol (CID 10331735) is (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol is CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N.
What is the InChIKey of (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is YNJHXPKZSMEYTQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 237.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 10331735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).