[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol

C17H24FNOS — CID 115892905

IUPAC[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCSc3c(F)cccc32)CCCCC1
InChIInChI=1S/C17H24FNOS/c18-14-6-4-5-13-15(7-10-21-16(13)14)19-11-17(12-20)8-2-1-3-9-17/h4-6,15,19-20H,1-3,7-12H2
InChIKeyLFPDEHFUJWQNCK-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.89
Rot. Bonds4

About [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 115892905) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID115892905
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCSc3c(F)cccc32)CCCCC1
InChIInChI=1S/C17H24FNOS/c18-14-6-4-5-13-15(7-10-21-16(13)14)19-11-17(12-20)8-2-1-3-9-17/h4-6,15,19-20H,1-3,7-12H2
InChIKeyLFPDEHFUJWQNCK-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol (CID 115892905) is [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol is OCC1(CNC2CCSc3c(F)cccc32)CCCCC1.
What is the InChIKey of [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is LFPDEHFUJWQNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c18-14-6-4-5-13-15(7-10-21-16(13)14)19-11-17(12-20)8-2-1-3-9-17/h4-6,15,19-20H,1-3,7-12H2.
What are the key properties of [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 309.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115892905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).