3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine

C5H10F2N2OS — CID 170187964

IUPAC3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine
SMILES[H]N=S(C)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS/c1-11(8,10)9-4-2-5(6,7)3-4/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyWFOSUWNHSYJCPJ-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.97
Rot. Bonds2

About 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine

3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine (PubChem CID 170187964) has the molecular formula C5H10F2N2OS and a molecular weight of 184.21 g/mol. Its IUPAC name is 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine
PubChem CID170187964
Molecular FormulaC5H10F2N2OS
Molecular Weight184.21 g/mol
Exact Mass184.05
IUPAC Name3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine
SMILES[H]N=S(C)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS/c1-11(8,10)9-4-2-5(6,7)3-4/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyWFOSUWNHSYJCPJ-UHFFFAOYSA-N
XLogP0.97
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine (CID 170187964) is 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine is [H]N=S(C)(=O)NC1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine?
The InChIKey is WFOSUWNHSYJCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2OS/c1-11(8,10)9-4-2-5(6,7)3-4/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine?
3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine has a molecular weight of 184.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine is sourced from PubChem (CID 170187964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).