2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol

C8H17F3N2O3S — CID 106290432

IUPAC2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
SMILESCCCC(C)(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-3-4-7(2,14)5-12-17(15,16)13-6-8(9,10)11/h12-14H,3-6H2,1-2H3
InChIKeyJBSMUCPEIMUAPY-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.52
Rot. Bonds7

About 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol

2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol (PubChem CID 106290432) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
PubChem CID106290432
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
SMILESCCCC(C)(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-3-4-7(2,14)5-12-17(15,16)13-6-8(9,10)11/h12-14H,3-6H2,1-2H3
InChIKeyJBSMUCPEIMUAPY-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trifluoro-N-(2-hydroxy-2-methylpentyl)-methanesulfonamide
CID 106290528
1,1-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)methanesulfonamide
CID 66178793
1,1,1-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)methanesulfonamide
CID 66180957
1,1-difluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide
CID 103835267
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-ol
CID 113637248
2,4-Dimethyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 113637261
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 113924255
2-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
CID 114809551
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]pentan-3-ol
CID 114809555
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809858
1-(Dimethylsulfamoylamino)-2-hydroxy-2,4-dimethylpentane
CID 66178595
1-(Ethylsulfamoylamino)-2-methylpentan-2-ol
CID 103835269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol (CID 106290432) is 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol is CCCC(C)(O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The InChIKey is JBSMUCPEIMUAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O3S/c1-3-4-7(2,14)5-12-17(15,16)13-6-8(9,10)11/h12-14H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 106290432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).