4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide

C10H18F3NO3S — CID 83059097

IUPAC4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCN(CC1CC(O)C1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-14(7-8-5-9(15)6-8)18(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyGWYBMJPHGKBSAH-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds6

About 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide

4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide (PubChem CID 83059097) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide
PubChem CID83059097
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCN(CC1CC(O)C1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-14(7-8-5-9(15)6-8)18(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyGWYBMJPHGKBSAH-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide (CID 83059097) is 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide is CN(CC1CC(O)C1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide?
The InChIKey is GWYBMJPHGKBSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-14(7-8-5-9(15)6-8)18(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide?
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83059097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).