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

C9H18F2N2O2S — CID 79711436

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-8(2)5(12)9(3,4)6(8)13-16(14,15)7(10)11/h5-7,13H,12H2,1-4H3
InChIKeyUUQIFVJYMVJZOA-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.89
Rot. Bonds3

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

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide (PubChem CID 79711436) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide
PubChem CID79711436
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-8(2)5(12)9(3,4)6(8)13-16(14,15)7(10)11/h5-7,13H,12H2,1-4H3
InChIKeyUUQIFVJYMVJZOA-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.89
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-difluoromethanesulfonamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide (CID 79711436) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide is CC1(C)C(N)C(C)(C)C1NS(=O)(=O)C(F)F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is UUQIFVJYMVJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-8(2)5(12)9(3,4)6(8)13-16(14,15)7(10)11/h5-7,13H,12H2,1-4H3.
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.89, 3 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-difluoromethanesulfonamide is sourced from PubChem (CID 79711436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).