(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol

C19H23NOS2 — CID 70023137

IUPAC(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCSc1ccc(S[C@@H]2Cc3ccc(O)cc3C(C)(C)[C@H]2N)cc1
InChIInChI=1S/C19H23NOS2/c1-19(2)16-11-13(21)5-4-12(16)10-17(18(19)20)23-15-8-6-14(22-3)7-9-15/h4-9,11,17-18,21H,10,20H2,1-3H3/t17-,18+/m1/s1
InChIKeyBNHNVLNRKKFGTO-MSOLQXFVSA-N
MW345.53 g/mol
LogP4.44
Rot. Bonds3

About (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol

(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 70023137) has the molecular formula C19H23NOS2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID70023137
Molecular FormulaC19H23NOS2
Molecular Weight345.53 g/mol
Exact Mass345.12
IUPAC Name(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCSc1ccc(S[C@@H]2Cc3ccc(O)cc3C(C)(C)[C@H]2N)cc1
InChIInChI=1S/C19H23NOS2/c1-19(2)16-11-13(21)5-4-12(16)10-17(18(19)20)23-15-8-6-14(22-3)7-9-15/h4-9,11,17-18,21H,10,20H2,1-3H3/t17-,18+/m1/s1
InChIKeyBNHNVLNRKKFGTO-MSOLQXFVSA-N
XLogP4.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol (CID 70023137) is (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol is CSc1ccc(S[C@@H]2Cc3ccc(O)cc3C(C)(C)[C@H]2N)cc1.
What is the InChIKey of (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is BNHNVLNRKKFGTO-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23NOS2/c1-19(2)16-11-13(21)5-4-12(16)10-17(18(19)20)23-15-8-6-14(22-3)7-9-15/h4-9,11,17-18,21H,10,20H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 345.53 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 70023137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).