N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C9H17F3N2O2S — CID 83059437

IUPACN-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CC(CNS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)2-1-3-17(15,16)14-6-7-4-8(13)5-7/h7-8,14H,1-6,13H2
InChIKeySRULFPJBXSIMTF-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.99
Rot. Bonds6

About N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059437) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059437
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CC(CNS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)2-1-3-17(15,16)14-6-7-4-8(13)5-7/h7-8,14H,1-6,13H2
InChIKeySRULFPJBXSIMTF-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclobutylmethyl)ethane-1-sulfonamide
CID 43298721
N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide
CID 128774986
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 156532369
2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide
CID 157027047
2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide
CID 157027154
N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 169016747
N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
CID 66006693
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058384
N-(2-Amino-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058388
N-(2-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058794

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83059437) is N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is NC1CC(CNS(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is SRULFPJBXSIMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)2-1-3-17(15,16)14-6-7-4-8(13)5-7/h7-8,14H,1-6,13H2.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).