(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

C18H21NO2S — CID 70158457

IUPAC(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2C[C@@H](Sc2cccc(O)c2)[C@@H]1N
InChIInChI=1S/C18H21NO2S/c1-18(2)15-10-13(21)7-6-11(15)8-16(17(18)19)22-14-5-3-4-12(20)9-14/h3-7,9-10,16-17,20-21H,8,19H2,1-2H3/t16-,17+/m1/s1
InChIKeySRTIDLAFPXZBKC-SJORKVTESA-N
MW315.44 g/mol
LogP3.42
Rot. Bonds2

About (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 70158457) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID70158457
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2C[C@@H](Sc2cccc(O)c2)[C@@H]1N
InChIInChI=1S/C18H21NO2S/c1-18(2)15-10-13(21)7-6-11(15)8-16(17(18)19)22-14-5-3-4-12(20)9-14/h3-7,9-10,16-17,20-21H,8,19H2,1-2H3/t16-,17+/m1/s1
InChIKeySRTIDLAFPXZBKC-SJORKVTESA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol (CID 70158457) is (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol is CC1(C)c2cc(O)ccc2C[C@@H](Sc2cccc(O)c2)[C@@H]1N.
What is the InChIKey of (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is SRTIDLAFPXZBKC-SJORKVTESA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2)15-10-13(21)7-6-11(15)8-16(17(18)19)22-14-5-3-4-12(20)9-14/h3-7,9-10,16-17,20-21H,8,19H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 315.44 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 70158457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).