[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane

C10H20F2N2O3S — CID 104858804

IUPAC[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H20F2N2O3S/c1-14(9-5-3-2-4-6-9)18(16,17)13-7-10(11,12)8-15/h9,13,15H,2-8H2,1H3
InChIKeyHYGRTIZRKPJBGI-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.71
Rot. Bonds6

About [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane

[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 104858804) has the molecular formula C10H20F2N2O3S and a molecular weight of 286.34 g/mol. Its IUPAC name is [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane
PubChem CID104858804
Molecular FormulaC10H20F2N2O3S
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H20F2N2O3S/c1-14(9-5-3-2-4-6-9)18(16,17)13-7-10(11,12)8-15/h9,13,15H,2-8H2,1H3
InChIKeyHYGRTIZRKPJBGI-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane (CID 104858804) is [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is HYGRTIZRKPJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O3S/c1-14(9-5-3-2-4-6-9)18(16,17)13-7-10(11,12)8-15/h9,13,15H,2-8H2,1H3.
What are the key properties of [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane?
[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 286.34 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 104858804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).