3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol

C15H23NO2S — CID 107772473

IUPAC3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol
SMILESCCNC1c2ccccc2OCC1SC(C)C(C)O
InChIInChI=1S/C15H23NO2S/c1-4-16-15-12-7-5-6-8-13(12)18-9-14(15)19-11(3)10(2)17/h5-8,10-11,14-17H,4,9H2,1-3H3
InChIKeyBSNDCMGEALZRRF-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.60
Rot. Bonds5

About 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol

3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol (PubChem CID 107772473) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol
PubChem CID107772473
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol
SMILESCCNC1c2ccccc2OCC1SC(C)C(C)O
InChIInChI=1S/C15H23NO2S/c1-4-16-15-12-7-5-6-8-13(12)18-9-14(15)19-11(3)10(2)17/h5-8,10-11,14-17H,4,9H2,1-3H3
InChIKeyBSNDCMGEALZRRF-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol with MolForge

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Related Compounds

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
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine
CID 103283499
2,3-dihydro-1-benzofuran-3-ol
CID 585896
N-ethyl-3-pentylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 107758627
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
3-(butylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446124

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol (CID 107772473) is 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol is CCNC1c2ccccc2OCC1SC(C)C(C)O.
What is the InChIKey of 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol?
The InChIKey is BSNDCMGEALZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-16-15-12-7-5-6-8-13(12)18-9-14(15)19-11(3)10(2)17/h5-8,10-11,14-17H,4,9H2,1-3H3.
What are the key properties of 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol?
3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol has a molecular weight of 281.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107772473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).