3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide

C10H18F3NO3S — CID 166308359

IUPAC3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CC1(O)CCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(10(11,12)13)6-18(16,17)14(2)7-9(15)4-3-5-9/h8,15H,3-7H2,1-2H3
InChIKeyZDFFDKNXKUXHNF-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds5

About 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide

3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide (PubChem CID 166308359) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide
PubChem CID166308359
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CC1(O)CCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(10(11,12)13)6-18(16,17)14(2)7-9(15)4-3-5-9/h8,15H,3-7H2,1-2H3
InChIKeyZDFFDKNXKUXHNF-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 115867632
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867674
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867673
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-N-methylbenzenesulfonamide
CID 122141769
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
CID 58821714
2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 114037872
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114386523
N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 115867678

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide (CID 166308359) is 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)CC1(O)CCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is ZDFFDKNXKUXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(10(11,12)13)6-18(16,17)14(2)7-9(15)4-3-5-9/h8,15H,3-7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide?
3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 166308359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).