2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide

C6H12F2N2O2S — CID 157027154

IUPAC2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)3-5(4-6)10-13(11,12)2-1-9/h5,10H,1-4,9H2
InChIKeyKCIBOJJDPPGERJ-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.34
Rot. Bonds4

About 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide

2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide (PubChem CID 157027154) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide
PubChem CID157027154
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)3-5(4-6)10-13(11,12)2-1-9/h5,10H,1-4,9H2
InChIKeyKCIBOJJDPPGERJ-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide (CID 157027154) is 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide is NCCS(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide?
The InChIKey is KCIBOJJDPPGERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8)3-5(4-6)10-13(11,12)2-1-9/h5,10H,1-4,9H2.
What are the key properties of 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide?
2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide is sourced from PubChem (CID 157027154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).