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

C8H17F3N2O3S — CID 114809386

IUPAC4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESCC(C)CC(CO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-6(2)3-7(4-14)13-17(15,16)12-5-8(9,10)11/h6-7,12-14H,3-5H2,1-2H3
InChIKeyAZITVYVZNMNVAM-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.38
Rot. Bonds7

About 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (PubChem CID 114809386) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
PubChem CID114809386
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESCC(C)CC(CO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-6(2)3-7(4-14)13-17(15,16)12-5-8(9,10)11/h6-7,12-14H,3-5H2,1-2H3
InChIKeyAZITVYVZNMNVAM-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)methanesulfonamide
CID 61246515
1,1-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)methanesulfonamide
CID 61247389
4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)butane-1-sulfonamide
CID 83058514
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 104978086
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]hexan-1-ol
CID 106115949
2-Methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 106157205
4,4-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 106353447
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]pentan-1-ol
CID 113637262
4-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 113847485
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 113924255
3-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 114168843
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (CID 114809386) is 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is CC(C)CC(CO)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The InChIKey is AZITVYVZNMNVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O3S/c1-6(2)3-7(4-14)13-17(15,16)12-5-8(9,10)11/h6-7,12-14H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is sourced from PubChem (CID 114809386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).