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

C6H13F3N2O3S — CID 104981910

IUPAC(2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC[C@@H](CO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-2-5(3-12)11-15(13,14)10-4-6(7,8)9/h5,10-12H,2-4H2,1H3/t5-/m0/s1
InChIKeyLJTOULCXDZXBOK-YFKPBYRVSA-N
MW250.24 g/mol
LogP-0.26
Rot. Bonds6

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

(2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (PubChem CID 104981910) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
PubChem CID104981910
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name(2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC[C@@H](CO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-2-5(3-12)11-15(13,14)10-4-6(7,8)9/h5,10-12H,2-4H2,1H3/t5-/m0/s1
InChIKeyLJTOULCXDZXBOK-YFKPBYRVSA-N
XLogP-0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The IUPAC name of (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (CID 104981910) is (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is CC[C@@H](CO)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The InChIKey is LJTOULCXDZXBOK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-2-5(3-12)11-15(13,14)10-4-6(7,8)9/h5,10-12H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
(2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol has a molecular weight of 250.24 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 104981910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).