1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide

C6H10F3NO3S — CID 66005885

IUPAC1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(12,13)10-3-4-1-5(11)2-4/h4-5,10-11H,1-3H2
InChIKeyIVSRGKYIFAHOGU-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.20
Rot. Bonds3

About 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide (PubChem CID 66005885) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
PubChem CID66005885
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(12,13)10-3-4-1-5(11)2-4/h4-5,10-11H,1-3H2
InChIKeyIVSRGKYIFAHOGU-UHFFFAOYSA-N
XLogP0.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
CID 63298386
N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide
CID 63299020
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylmethanesulfonamide
CID 65994581
1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66004826
1,1,1-trifluoro-N-(4-hydroxy-2-methylbutyl)methanesulfonamide
CID 66108217
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide
CID 83059096
1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
CID 103834315
1,1,1-trifluoro-N-(4-hydroxypentyl)methanesulfonamide
CID 106126031
N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide
CID 106288430
1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
CID 107155391
1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide
CID 107271064
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809650

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide (CID 66005885) is 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide is O=S(=O)(NCC1CC(O)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The InChIKey is IVSRGKYIFAHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)14(12,13)10-3-4-1-5(11)2-4/h4-5,10-11H,1-3H2.
What are the key properties of 1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide has a molecular weight of 233.21 g/mol, XLogP of 0.20, 3 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-hydroxycyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 66005885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).