N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide

C5H10F2N2O2S — CID 43597836

IUPACN-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide
SMILESNC1CC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-4-1-3(8)2-4/h3-5,9H,1-2,8H2
InChIKeyOTOOCZQNJRXBOC-UHFFFAOYSA-N
MW200.21 g/mol
LogP-0.38
Rot. Bonds3

About N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide

N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide (PubChem CID 43597836) has the molecular formula C5H10F2N2O2S and a molecular weight of 200.21 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide
PubChem CID43597836
Molecular FormulaC5H10F2N2O2S
Molecular Weight200.21 g/mol
Exact Mass200.04
IUPAC NameN-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide
SMILESNC1CC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-4-1-3(8)2-4/h3-5,9H,1-2,8H2
InChIKeyOTOOCZQNJRXBOC-UHFFFAOYSA-N
XLogP-0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)methanesulfonamide hydrochloride
CID 50988600
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
N-(3-aminocyclobutyl)methanesulfonamide
CID 43597850
2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide
CID 157027154
N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide
CID 166943265
N-(2,2-difluorocyclobutyl)methanesulfonamide
CID 167090117
N-(3,3-difluorocyclobutyl)propane-2-sulfonamide
CID 170176051
N-(3,3-difluorocyclobutyl)ethanesulfonamide
CID 170187962
3,3-difluoro-N-(methylsulfonimidoyl)cyclobutan-1-amine
CID 170187964
N-(3-fluorocyclobutyl)methanesulfonamide
CID 174343294
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide (CID 43597836) is N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide is NC1CC(NS(=O)(=O)C(F)F)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is OTOOCZQNJRXBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-4-1-3(8)2-4/h3-5,9H,1-2,8H2.
What are the key properties of N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide?
N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 200.21 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).