4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

C9H19F3N2O3S — CID 106353447

IUPAC4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-8(2,3)7(4-5-15)14-18(16,17)13-6-9(10,11)12/h7,13-15H,4-6H2,1-3H3
InChIKeyYUWDQHXSWQEACN-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.77
Rot. Bonds6

About 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (PubChem CID 106353447) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
PubChem CID106353447
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-8(2,3)7(4-5-15)14-18(16,17)13-6-9(10,11)12/h7,13-15H,4-6H2,1-3H3
InChIKeyYUWDQHXSWQEACN-UHFFFAOYSA-N
XLogP0.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
CID 103833762
4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide
CID 103943146
4,4-Dimethyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 106144014
3-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 106169945
2-Ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol
CID 106253238
1,1,1-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
CID 106353455
4-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 113847485
4-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 114809386
3-(2,2,2-Trifluoroethylsulfamoylamino)pentan-1-ol
CID 114809814
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
3-(Dipropylsulfamoylamino)-1-hydroxy-4,4-dimethylpentane
CID 103833760
3-(Ethylsulfamoylamino)-4,4-dimethylpentan-1-ol
CID 103833764

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (CID 106353447) is 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is CC(C)(C)C(CCO)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The InChIKey is YUWDQHXSWQEACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-8(2,3)7(4-5-15)14-18(16,17)13-6-9(10,11)12/h7,13-15H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol has a molecular weight of 292.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is sourced from PubChem (CID 106353447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).