3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol

C7H15F3N2O3S — CID 114809835

IUPAC3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC(C)(CCO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-6(2,3-4-13)12-16(14,15)11-5-7(8,9)10/h11-13H,3-5H2,1-2H3
InChIKeyIIPKSTZLEOAHFC-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.13
Rot. Bonds6

About 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol

3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (PubChem CID 114809835) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
PubChem CID114809835
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC(C)(CCO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-6(2,3-4-13)12-16(14,15)11-5-7(8,9)10/h11-13H,3-5H2,1-2H3
InChIKeyIIPKSTZLEOAHFC-UHFFFAOYSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114805476
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (CID 114809835) is 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is CC(C)(CCO)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The InChIKey is IIPKSTZLEOAHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-6(2,3-4-13)12-16(14,15)11-5-7(8,9)10/h11-13H,3-5H2,1-2H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol has a molecular weight of 264.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 114809835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).