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

C6H13F3N2O3S — CID 114809806

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
SMILESCCC(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-2-5(12)3-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyRMRGQCSSSAELAL-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.26
Rot. Bonds6

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

1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol (PubChem CID 114809806) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
PubChem CID114809806
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
SMILESCCC(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-2-5(12)3-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyRMRGQCSSSAELAL-UHFFFAOYSA-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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Related Compounds

1,1,1-trifluoro-N-(2-hydroxybutyl)methanesulfonamide
CID 116243376
1,1,1-trifluoro-N-(2-hydroxybutyl)methanesulfonamide
CID 116243376
1-Amino-3,3-difluorobutan-2-ol
CID 123788525
N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide
CID 64541057
1,1,1-trifluoro-N-(3-hydroxybutyl)methanesulfonamide
CID 64911640
1,1,1-trifluoro-N-(3-hydroxybutyl)methanesulfonamide
CID 64911640
1,1,1-trifluoro-N-[(2S)-2-hydroxypropyl]methanesulfonamide
CID 83057880
3-(Ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol
CID 103833978
3-(Diethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
CID 103834055
3-(Diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane
CID 103836857
1-[(3,3-Difluoro-2-hydroxypropyl)sulfamoyl-methylamino]butane
CID 103836930
3-(Ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol
CID 103833978

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol (CID 114809806) is 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol is CCC(O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
The InChIKey is RMRGQCSSSAELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-2-5(12)3-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-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 1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol is sourced from PubChem (CID 114809806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).