3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C15H23NO3S — CID 64652880

IUPAC3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2ccccc2OCC1S(=O)CCOC
InChIInChI=1S/C15H23NO3S/c1-3-8-16-15-12-6-4-5-7-13(12)19-11-14(15)20(17)10-9-18-2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyDAJNTXGOZCPTHR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.88
Rot. Bonds7

About 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64652880) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64652880
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2ccccc2OCC1S(=O)CCOC
InChIInChI=1S/C15H23NO3S/c1-3-8-16-15-12-6-4-5-7-13(12)19-11-14(15)20(17)10-9-18-2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyDAJNTXGOZCPTHR-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 64652880) is 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1c2ccccc2OCC1S(=O)CCOC.
What is the InChIKey of 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DAJNTXGOZCPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-8-16-15-12-6-4-5-7-13(12)19-11-14(15)20(17)10-9-18-2/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 297.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64652880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).