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

C14H21NOS — CID 18343364

IUPAC(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCN[C@@H]1[C@@H](SC)Cc2ccc(O)cc2C1(C)C
InChIInChI=1S/C14H21NOS/c1-14(2)11-8-10(16)6-5-9(11)7-12(17-4)13(14)15-3/h5-6,8,12-13,15-16H,7H2,1-4H3/t12-,13+/m0/s1
InChIKeyFVAPTIDKQSSWOV-QWHCGFSZSA-N
MW251.39 g/mol
LogP2.55
Rot. Bonds2

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

(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 18343364) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID18343364
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCN[C@@H]1[C@@H](SC)Cc2ccc(O)cc2C1(C)C
InChIInChI=1S/C14H21NOS/c1-14(2)11-8-10(16)6-5-9(11)7-12(17-4)13(14)15-3/h5-6,8,12-13,15-16H,7H2,1-4H3/t12-,13+/m0/s1
InChIKeyFVAPTIDKQSSWOV-QWHCGFSZSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol with MolForge

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Related Compounds

7-Propylamino-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10058787
(1R,9S)-15-amino-1-methyl-10-thiatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 44336602
7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 9838412
(6R,7S)-7-amino-8,8-dimethyl-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 10331735
7-(Dimethylamino)-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 11264459
1,2,3,4-tetrahydro-5-hydroxy-2-[N-(3-methylthiopropyl)-N-propylamino]naphthalene
CID 20483196
7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 9990996
7-[(Cyclopropylmethyl)amino]-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 11149261
7-[Allyl(methyl)amino]-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 11184156
8,8-dimethyl-7-{[(2E)-3-phenylprop-2-enyl]amino}-5,6,7,8-tetrahydronaphthalen-2-ol
CID 11220535
7-Diallylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 11311787
8,8-Dimethyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 11322246

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol (CID 18343364) is (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol is CN[C@@H]1[C@@H](SC)Cc2ccc(O)cc2C1(C)C.
What is the InChIKey of (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is FVAPTIDKQSSWOV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(2)11-8-10(16)6-5-9(11)7-12(17-4)13(14)15-3/h5-6,8,12-13,15-16H,7H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 251.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 18343364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).