N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide

C9H17F3N2O2S — CID 79711267

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7(2)5(13)8(3,4)6(7)14-17(15,16)9(10,11)12/h5-6,14H,13H2,1-4H3
InChIKeySOCCWHGBRHLREZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.19
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 79711267) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID79711267
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7(2)5(13)8(3,4)6(7)14-17(15,16)9(10,11)12/h5-6,14H,13H2,1-4H3
InChIKeySOCCWHGBRHLREZ-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide (CID 79711267) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide is CC1(C)C(N)C(C)(C)C1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SOCCWHGBRHLREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-7(2)5(13)8(3,4)6(7)14-17(15,16)9(10,11)12/h5-6,14H,13H2,1-4H3.
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 79711267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).