1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane

C5H12F2N2O3S — CID 104858702

IUPAC1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
SMILESCN(C)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C5H12F2N2O3S/c1-9(2)13(11,12)8-3-5(6,7)4-10/h8,10H,3-4H2,1-2H3
InChIKeyJRDWNUDHDZLQCQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.99
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane

1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane (PubChem CID 104858702) has the molecular formula C5H12F2N2O3S and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
PubChem CID104858702
Molecular FormulaC5H12F2N2O3S
Molecular Weight218.22 g/mol
Exact Mass218.05
IUPAC Name1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
SMILESCN(C)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C5H12F2N2O3S/c1-9(2)13(11,12)8-3-5(6,7)4-10/h8,10H,3-4H2,1-2H3
InChIKeyJRDWNUDHDZLQCQ-UHFFFAOYSA-N
XLogP-0.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane (CID 104858702) is 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane is CN(C)S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
The InChIKey is JRDWNUDHDZLQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O3S/c1-9(2)13(11,12)8-3-5(6,7)4-10/h8,10H,3-4H2,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane has a molecular weight of 218.22 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane is sourced from PubChem (CID 104858702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).