(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine

C10H13NOS — CID 130613783

IUPAC(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
SMILESCSc1cccc2c1OCC[C@@H]2N
InChIInChI=1S/C10H13NOS/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-4,8H,5-6,11H2,1H3/t8-/m0/s1
InChIKeyQXUMPQXFEMZMBY-QMMMGPOBSA-N
MW195.29 g/mol
LogP2.19
Rot. Bonds1

About (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine

(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130613783) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID130613783
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
SMILESCSc1cccc2c1OCC[C@@H]2N
InChIInChI=1S/C10H13NOS/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-4,8H,5-6,11H2,1H3/t8-/m0/s1
InChIKeyQXUMPQXFEMZMBY-QMMMGPOBSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine (CID 130613783) is (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine is CSc1cccc2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QXUMPQXFEMZMBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NOS/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-4,8H,5-6,11H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 195.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130613783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).