N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide

C12H23F3N2O2S — CID 83059281

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-10(2)8(16)11(3,4)9(10)17-20(18,19)7-5-6-12(13,14)15/h8-9,17H,5-7,16H2,1-4H3
InChIKeyXJXRLXSWOAFBAW-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.01
Rot. Bonds5

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

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059281) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059281
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-10(2)8(16)11(3,4)9(10)17-20(18,19)7-5-6-12(13,14)15/h8-9,17H,5-7,16H2,1-4H3
InChIKeyXJXRLXSWOAFBAW-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.01
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)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059281) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide is CC1(C)C(N)C(C)(C)C1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XJXRLXSWOAFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-10(2)8(16)11(3,4)9(10)17-20(18,19)7-5-6-12(13,14)15/h8-9,17H,5-7,16H2,1-4H3.
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.01, 5 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)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).