1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

C7H12F3NO3S — CID 114631576

IUPAC1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c1-6(2)4(3-5(6)12)11-15(13,14)7(8,9)10/h4-5,11-12H,3H2,1-2H3
InChIKeyBFLSDIMIULQZOM-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.58
Rot. Bonds2

About 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (PubChem CID 114631576) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
PubChem CID114631576
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c1-6(2)4(3-5(6)12)11-15(13,14)7(8,9)10/h4-5,11-12H,3H2,1-2H3
InChIKeyBFLSDIMIULQZOM-UHFFFAOYSA-N
XLogP0.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
CID 106353455
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 113610357
1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631552
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631627
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide
CID 114631672
1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631689
1-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631690
2-Hydroxy-1,1-dimethyl-4-(sulfamoylamino)cyclobutane
CID 114632810

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (CID 114631576) is 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The InChIKey is BFLSDIMIULQZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-6(2)4(3-5(6)12)11-15(13,14)7(8,9)10/h4-5,11-12H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide has a molecular weight of 247.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 114631576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).