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

C7H15F3N2O3S — CID 104978086

IUPAC(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-5(2)6(3-13)12-16(14,15)11-4-7(8,9)10/h5-6,11-13H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyBYSSDOBRRXOMLQ-ZCFIWIBFSA-N
MW264.27 g/mol
LogP-0.01
Rot. Bonds6

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

(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (PubChem CID 104978086) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
PubChem CID104978086
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-5(2)6(3-13)12-16(14,15)11-4-7(8,9)10/h5-6,11-13H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyBYSSDOBRRXOMLQ-ZCFIWIBFSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (CID 104978086) is (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is CC(C)[C@@H](CO)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The InChIKey is BYSSDOBRRXOMLQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-5(2)6(3-13)12-16(14,15)11-4-7(8,9)10/h5-6,11-13H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol has a molecular weight of 264.27 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 104978086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).