(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol

C10H13NO2S — CID 130707462

IUPAC(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol
SMILESCSc1ccc2c(c1O)OCC[C@H]2N
InChIInChI=1S/C10H13NO2S/c1-14-8-3-2-6-7(11)4-5-13-10(6)9(8)12/h2-3,7,12H,4-5,11H2,1H3/t7-/m1/s1
InChIKeyFVBWPQKZIVGSAI-SSDOTTSWSA-N
MW211.29 g/mol
LogP1.90
Rot. Bonds1

About (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol

(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol (PubChem CID 130707462) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol
PubChem CID130707462
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol
SMILESCSc1ccc2c(c1O)OCC[C@H]2N
InChIInChI=1S/C10H13NO2S/c1-14-8-3-2-6-7(11)4-5-13-10(6)9(8)12/h2-3,7,12H,4-5,11H2,1H3/t7-/m1/s1
InChIKeyFVBWPQKZIVGSAI-SSDOTTSWSA-N
XLogP1.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 130613783
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55292280
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993
(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 171252203
(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
CID 130673760
(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130609322
(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252194
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124
4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
CID 162344563
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol (CID 130707462) is (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol is CSc1ccc2c(c1O)OCC[C@H]2N.
What is the InChIKey of (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is FVBWPQKZIVGSAI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14-8-3-2-6-7(11)4-5-13-10(6)9(8)12/h2-3,7,12H,4-5,11H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol?
(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 211.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 130707462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).