1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

C7H14F3NO3S — CID 64642223

IUPAC1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-5(4-15(2,13)14)11-3-6(12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyGLCQSGWQNCAVSG-UHFFFAOYSA-N
MW249.25 g/mol
LogP-0.07
Rot. Bonds5

About 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (PubChem CID 64642223) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
PubChem CID64642223
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-5(4-15(2,13)14)11-3-6(12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyGLCQSGWQNCAVSG-UHFFFAOYSA-N
XLogP-0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
CID 64629394
3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
CID 83176713
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64631835
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115755879
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 64643205
3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
CID 63899623
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
N-(1-methylsulfonylpropan-2-yl)but-2-yn-1-amine
CID 64629603

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (CID 64642223) is 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is CC(CS(C)(=O)=O)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The InChIKey is GLCQSGWQNCAVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-5(4-15(2,13)14)11-3-6(12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol has a molecular weight of 249.25 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 64642223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).