6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine

C15H21NO3S — CID 107758435

IUPAC6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(S(=O)C1CCOC1C)C2
InChIInChI=1S/C15H21NO3S/c1-9-13(5-6-19-9)20(17)14-7-10-3-4-11(18-2)8-12(10)15(14)16/h3-4,8-9,13-15H,5-7,16H2,1-2H3
InChIKeyGYUKLIZSGYISFG-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.55
Rot. Bonds3

About 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine

6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107758435) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107758435
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(S(=O)C1CCOC1C)C2
InChIInChI=1S/C15H21NO3S/c1-9-13(5-6-19-9)20(17)14-7-10-3-4-11(18-2)8-12(10)15(14)16/h3-4,8-9,13-15H,5-7,16H2,1-2H3
InChIKeyGYUKLIZSGYISFG-UHFFFAOYSA-N
XLogP1.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine (CID 107758435) is 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(S(=O)C1CCOC1C)C2.
What is the InChIKey of 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GYUKLIZSGYISFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-9-13(5-6-19-9)20(17)14-7-10-3-4-11(18-2)8-12(10)15(14)16/h3-4,8-9,13-15H,5-7,16H2,1-2H3.
What are the key properties of 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 295.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107758435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).