4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol

C15H20FNOS — CID 43761716

IUPAC4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCSc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FNOS/c16-13-3-1-2-12-14(8-9-19-15(12)13)17-10-4-6-11(18)7-5-10/h1-3,10-11,14,17-18H,4-9H2
InChIKeyGPVJRZMZIUCZIQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.26
Rot. Bonds2

About 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol

4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol (PubChem CID 43761716) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
PubChem CID43761716
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCSc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FNOS/c16-13-3-1-2-12-14(8-9-19-15(12)13)17-10-4-6-11(18)7-5-10/h1-3,10-11,14,17-18H,4-9H2
InChIKeyGPVJRZMZIUCZIQ-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol (CID 43761716) is 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol is OC1CCC(NC2CCSc3c(F)cccc32)CC1.
What is the InChIKey of 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
The InChIKey is GPVJRZMZIUCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c16-13-3-1-2-12-14(8-9-19-15(12)13)17-10-4-6-11(18)7-5-10/h1-3,10-11,14,17-18H,4-9H2.
What are the key properties of 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43761716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).