N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide

C6H12F2N2O2S — CID 66006693

IUPACN-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1CC(CNS(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-4-1-5(9)2-4/h4-6,10H,1-3,9H2
InChIKeyVYMYZCZUCWCFRK-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.13
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide

N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 66006693) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID66006693
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC NameN-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1CC(CNS(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-4-1-5(9)2-4/h4-6,10H,1-3,9H2
InChIKeyVYMYZCZUCWCFRK-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide (CID 66006693) is N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide is NC1CC(CNS(=O)(=O)C(F)F)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is VYMYZCZUCWCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-4-1-5(9)2-4/h4-6,10H,1-3,9H2.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 66006693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).