2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol

C15H20FNO3S — CID 62360131

IUPAC2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCCCC2O)c2cc(F)ccc21
InChIInChI=1S/C15H20FNO3S/c16-10-5-6-15-11(9-10)12(7-8-21(15,19)20)17-13-3-1-2-4-14(13)18/h5-6,9,12-14,17-18H,1-4,7-8H2
InChIKeyVYMCFUGIICRYGL-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.94
Rot. Bonds2

About 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol

2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol (PubChem CID 62360131) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
PubChem CID62360131
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCCCC2O)c2cc(F)ccc21
InChIInChI=1S/C15H20FNO3S/c16-10-5-6-15-11(9-10)12(7-8-21(15,19)20)17-13-3-1-2-4-14(13)18/h5-6,9,12-14,17-18H,1-4,7-8H2
InChIKeyVYMCFUGIICRYGL-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol (CID 62360131) is 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol is O=S1(=O)CCC(NC2CCCCC2O)c2cc(F)ccc21.
What is the InChIKey of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
The InChIKey is VYMCFUGIICRYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c16-10-5-6-15-11(9-10)12(7-8-21(15,19)20)17-13-3-1-2-4-14(13)18/h5-6,9,12-14,17-18H,1-4,7-8H2.
What are the key properties of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol?
2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol has a molecular weight of 313.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 62360131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).