2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol

C16H25NO2S — CID 66102789

IUPAC2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2OCC1SCC(C)CO
InChIInChI=1S/C16H25NO2S/c1-3-8-17-16-13-6-4-5-7-14(13)19-10-15(16)20-11-12(2)9-18/h4-7,12,15-18H,3,8-11H2,1-2H3
InChIKeyDMOZOBYSICJPID-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.85
Rot. Bonds7

About 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol

2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol (PubChem CID 66102789) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
PubChem CID66102789
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2OCC1SCC(C)CO
InChIInChI=1S/C16H25NO2S/c1-3-8-17-16-13-6-4-5-7-14(13)19-10-15(16)20-11-12(2)9-18/h4-7,12,15-18H,3,8-11H2,1-2H3
InChIKeyDMOZOBYSICJPID-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol with MolForge

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Related Compounds

3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420608
3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol
CID 107772473
N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
CID 107763378
N-ethyl-3-prop-2-enylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 114272351
N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64651960
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66102793
N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine
CID 103283499
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64653419
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol (CID 66102789) is 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol is CCCNC1c2ccccc2OCC1SCC(C)CO.
What is the InChIKey of 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol?
The InChIKey is DMOZOBYSICJPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-8-17-16-13-6-4-5-7-14(13)19-10-15(16)20-11-12(2)9-18/h4-7,12,15-18H,3,8-11H2,1-2H3.
What are the key properties of 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol?
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol has a molecular weight of 295.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 66102789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).