N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide

C11H20F3NO2S — CID 156532369

IUPACN-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESCC(C)(C)C1CC(NS(=O)(=O)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-10(2,3)8-6-9(7-8)15-18(16,17)5-4-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeySOKWXUILLNDJML-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.68
Rot. Bonds4

About N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide

N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 156532369) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID156532369
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESCC(C)(C)C1CC(NS(=O)(=O)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-10(2,3)8-6-9(7-8)15-18(16,17)5-4-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeySOKWXUILLNDJML-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide (CID 156532369) is N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide is CC(C)(C)C1CC(NS(=O)(=O)CCC(F)(F)F)C1.
What is the InChIKey of N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is SOKWXUILLNDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-10(2,3)8-6-9(7-8)15-18(16,17)5-4-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide?
N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 287.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 156532369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).