[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol

C16H22FNOS — CID 71915733

IUPAC[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol
SMILESOCC1CCC(NC2CCSc3ccc(F)cc32)CC1
InChIInChI=1S/C16H22FNOS/c17-12-3-6-16-14(9-12)15(7-8-20-16)18-13-4-1-11(10-19)2-5-13/h3,6,9,11,13,15,18-19H,1-2,4-5,7-8,10H2
InChIKeyPIDBRROANDWCTC-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.50
Rot. Bonds3

About [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol

[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol (PubChem CID 71915733) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol
PubChem CID71915733
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol
SMILESOCC1CCC(NC2CCSc3ccc(F)cc32)CC1
InChIInChI=1S/C16H22FNOS/c17-12-3-6-16-14(9-12)15(7-8-20-16)18-13-4-1-11(10-19)2-5-13/h3,6,9,11,13,15,18-19H,1-2,4-5,7-8,10H2
InChIKeyPIDBRROANDWCTC-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol (CID 71915733) is [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol is OCC1CCC(NC2CCSc3ccc(F)cc32)CC1.
What is the InChIKey of [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol?
The InChIKey is PIDBRROANDWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-12-3-6-16-14(9-12)15(7-8-20-16)18-13-4-1-11(10-19)2-5-13/h3,6,9,11,13,15,18-19H,1-2,4-5,7-8,10H2.
What are the key properties of [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol?
[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol has a molecular weight of 295.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 71915733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).