6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C16H23NO2S — CID 115720011

IUPAC6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCC1CCSCC1)CCO2
InChIInChI=1S/C16H23NO2S/c1-18-13-2-3-16-14(10-13)15(4-7-19-16)17-11-12-5-8-20-9-6-12/h2-3,10,12,15,17H,4-9,11H2,1H3
InChIKeyPZDXLZKYDRSNIK-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.25
Rot. Bonds4

About 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 115720011) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID115720011
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCC1CCSCC1)CCO2
InChIInChI=1S/C16H23NO2S/c1-18-13-2-3-16-14(10-13)15(4-7-19-16)17-11-12-5-8-20-9-6-12/h2-3,10,12,15,17H,4-9,11H2,1H3
InChIKeyPZDXLZKYDRSNIK-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 107411470
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 106370657
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 115720011) is 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NCC1CCSCC1)CCO2.
What is the InChIKey of 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PZDXLZKYDRSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-18-13-2-3-16-14(10-13)15(4-7-19-16)17-11-12-5-8-20-9-6-12/h2-3,10,12,15,17H,4-9,11H2,1H3.
What are the key properties of 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 293.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 115720011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).