1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol

C8H18F3N3O3S — CID 114149548

IUPAC1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O3S/c1-7(15,6-14(2)3)4-12-18(16,17)13-5-8(9,10)11/h12-13,15H,4-6H2,1-3H3
InChIKeyNXEYDJAUAHIESK-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.71
Rot. Bonds7

About 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol (PubChem CID 114149548) has the molecular formula C8H18F3N3O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol
PubChem CID114149548
Molecular FormulaC8H18F3N3O3S
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC Name1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O3S/c1-7(15,6-14(2)3)4-12-18(16,17)13-5-8(9,10)11/h12-13,15H,4-6H2,1-3H3
InChIKeyNXEYDJAUAHIESK-UHFFFAOYSA-N
XLogP-0.71
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol (CID 114149548) is 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol is CN(C)CC(C)(O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol?
The InChIKey is NXEYDJAUAHIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O3S/c1-7(15,6-14(2)3)4-12-18(16,17)13-5-8(9,10)11/h12-13,15H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol has a molecular weight of 293.31 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol is sourced from PubChem (CID 114149548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).