2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol

C8H16F3NO2S — CID 106246937

IUPAC2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(14,5-15-2)4-12-3-6(13)8(9,10)11/h6,12-14H,3-5H2,1-2H3
InChIKeyDLTRPNIFHWDBLS-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.61
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol (PubChem CID 106246937) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
PubChem CID106246937
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(14,5-15-2)4-12-3-6(13)8(9,10)11/h6,12-14H,3-5H2,1-2H3
InChIKeyDLTRPNIFHWDBLS-UHFFFAOYSA-N
XLogP0.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol with MolForge

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Related Compounds

2-Methyl-1-({3-[(RS)-(3,3,3-trifluoropropyl)sulphinyl]propyl}amino)propan-2-ol
CID 86696805
1,1,1-Trifluoro-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 61529703
1,1,1-Trifluoro-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964659
1,1,1-Trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966493
1,1,1-Trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
CID 79552276
3-(2-Ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol
CID 102671696
3-(2-Ethylsulfanylethylamino)-1,1-difluoropropan-2-ol
CID 102672469
1-(1,1-Difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103096917
3-(3-Ethylsulfanylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 104080402
3-(3-Ethylsulfanylpropylamino)-1,1-difluoropropan-2-ol
CID 104179897
1,1-Difluoro-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 105644075
1,1-Difluoro-3-(4-methylsulfanylbutylamino)propan-2-ol
CID 105644545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol (CID 106246937) is 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol is CSCC(C)(O)CNCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is DLTRPNIFHWDBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-7(14,5-15-2)4-12-3-6(13)8(9,10)11/h6,12-14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 247.28 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 106246937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).