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

C5H11F3N2O3S — CID 103834041

IUPAC3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
SMILESCN(C)S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-10(2)14(12,13)9-3-4(11)5(6,7)8/h4,9,11H,3H2,1-2H3
InChIKeyPNFUJVOSLDBNPY-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.69
Rot. Bonds4

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

3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane (PubChem CID 103834041) has the molecular formula C5H11F3N2O3S and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
PubChem CID103834041
Molecular FormulaC5H11F3N2O3S
Molecular Weight236.22 g/mol
Exact Mass236.04
IUPAC Name3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
SMILESCN(C)S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-10(2)14(12,13)9-3-4(11)5(6,7)8/h4,9,11H,3H2,1-2H3
InChIKeyPNFUJVOSLDBNPY-UHFFFAOYSA-N
XLogP-0.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane?
The IUPAC name of 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane (CID 103834041) is 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane?
The canonical SMILES for 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane is CN(C)S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane?
The InChIKey is PNFUJVOSLDBNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O3S/c1-10(2)14(12,13)9-3-4(11)5(6,7)8/h4,9,11H,3H2,1-2H3.
What are the key properties of 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane?
3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane has a molecular weight of 236.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane is sourced from PubChem (CID 103834041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).